Phenothiazine, 5-oxide - PubChem Public Chemical Database

Phenothiazine, 5-oxide - Compound Summary (CID 71014)

Table of Contents

Substance Information

Category

Exports

BioActivity Results:

Tested in BioAssays: All: 6 Inactive: 6
BioActivity Summary: This Compound

with Similar Compounds

AID: 175 Source: DTP/NCI
NCI Yeast Anticancer Drug Screen. Data for the mlh1 rad18 strain

AID: 167 Source: DTP/NCI
NCI Yeast Anticancer Drug Screen. Data for the bub3 strain

AID: 165 Source: DTP/NCI
NCI Yeast Anticancer Drug Screen. Data for the cln2 rad14 strain

AID: 161 Source: DTP/NCI
NCI Yeast Anticancer Drug Screen. Data for the sgs1 mgt1 strain

more ...

Properties Computed from Structure:

Molecular Weight	215.27096 [g/mol]
Molecular Formula	C₁₂H₉NOS
XLogP3-AA	2.3
H-Bond Donor	1
H-Bond Acceptor	2
Rotatable Bond Count	0
Exact Mass	215.040485
MonoIsotopic Mass	215.040485
Topological Polar Surface Area	29.1
Heavy Atom Count	15
Formal Charge	0
Complexity	244
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	1

Descriptors Computed from Structure:

IUPAC Name: 10H-phenothiazine 5-oxide
Canonical SMILES: C1=CC=C2C(=C1)NC3=CC=CC=C3S2=O
InChI: InChI=1S/C12H9NOS/c14-15-11-7-3-1-5-9(11)13-10-6-2-4-8-12(10)15/h1-8,13H

InChIKey: DSAFSORWJPSMQS-UHFFFAOYSA-N

Compound Information:

CID 71014

Create Date: 2005-03-26

Similar Compounds: 70 Links

Similar Conformers: 2242 Links View Conformers