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trifluoromethylphenothiazine

trifluoromethylphenothiazine

CAS: 92-30-8

Formula: C13H8F3NS

SMILES: FC(F)(F)C1=CC2=C(SC3=C(N2)C=CC=C3)C=C1

IUPAC: 2-(trifluoromethyl)-10H-phenothiazine

InChI: InChI=1S/C13H8F3NS/c14-13(15,16)8-5-6-12-10(7-8)17-9-3-1-2-4-11(9)18-12/h1-7,17H

Composition: C (58.42%), H (3.02%), F (21.33%), N (5.24%), S (12.00%)

Molar Mass: 267.27

Atom Count: 26

Heavy Atom Count: 18

Properties
Properties
Common Names trifluoromethylphenothiazine
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 267.032954925
Formal Charge 0
FSP3 0.08
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey RKGYJVASTMCSHZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.14
Topological Polar Surface Area 12.03
Polarizability 24.38
Ring Count 3
Rotatable Bond Count 1

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