NSC147791 - PubChem Public Chemical Database


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NSC147791 - Substance Summary (SID 559953)

Table of Contents

Substance Information

Comments

Exports

Data Source:

Depositor: DTP/NCI
External ID: 147791

BioActivity Results:

Tested in BioAssays: All: 2 Inactive: 2
BioActivity Summary: This Substance

with Similar Substances

AID: 248 Source: DTP/NCI
NCI In Vivo Anticancer Drug Screen. Data for tumor model L1210 Leukemia (intraperitoneal) in B6D2F1 (BDF1) mice

AID: 190 Source: DTP/NCI
NCI In Vivo Anticancer Drug Screen. Data for tumor model Lymphoma AKR (Transplanted) (intraperitoneal) in AKR/Lw mice

Depositor-Supplied Synonyms:

NSC147791

Properties Computed from Structure:

Molecular Weight	295.05094 [g/mol]
Molecular Formula	HNO₃Th
H-Bond Donor	1
H-Bond Acceptor	3
Rotatable Bond Count	0
Exact Mass	295.033693
MonoIsotopic Mass	295.033693
Topological Polar Surface Area	63.4
Heavy Atom Count	5
Formal Charge	0
Complexity	24.8
Isotope Atom Count	0
Defined Atom StereoCenter Count	0
Undefined Atom StereoCenter Count	0
Defined Bond StereoCenter Count	0
Undefined Bond StereoCenter Count	0
Covalently-Bonded Unit Count	2

Descriptors Computed from Structure:

IUPAC Name: nitric acid; thorium
Canonical SMILES: [N+](=O)(O)[O-].[Th]
InChI: InChI=1S/HNO3.Th/c2-1(3)4;/h(H,2,3,4);

InChIKey: MVTJDIQCKWYZRP-UHFFFAOYSA-N

Substance Information:

SID 559953

Deposit Date: 2005-03-27
Modify Date: 2008-02-29

CID 24193069

Create Date: 2008-02-29

Unique Components: 2 Links

Similar Substances: 330 Links

Depositor-Supplied Comments:

DTP/NCI from molfile. Release-June 2007.
Structure Evaluation:No Comparision - Unparameterized Atom - Th.
Deposition record created from database webdb on host dtpiv1.ncifcrf.gov on Feb 22, 2008

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