C19H15N3O2S | Cheminformatics

N'-benzoyl-4-methylthieno[2,3-b]indole-2-carbohydrazide

Formula:C19H15N3O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none N'-benzoyl-4-methylthieno[2,3-b]indole-2-carbohydrazide is a drug-like molecule.

MolNameN'-benzoyl-4-methylthieno[2,3-b]indole-2-carbohydrazide
MolecularFormulaC19H15N3O2S
SmilesCn1c(sc(C(NNC(c2ccccc2)=O)=O)c2)c2c2c1cccc2
InChIInChI=1S/C19H15N3O2S/c1-22-15-10-6-5-9-13(15)14-11-16(25-19(14)22)18(24)21-20-17(23)12-7-3-2-4-8-12/h2-11H,1H3,(H,20,23)(H,21,24)
InChIKFNYUNBWFUMNDND-UHFFFAOYSA-N
TotalMolweight349.413
Molweight349.413
MonoisotopicMass349.088497
CLogP2.9074
CLogS-5.574
H Acceptors5
H Donors2
TotalSurfaceArea258.04
Relative PSA0.29542
PolarSurfaceArea91.37
Druglikeness4.8759
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.6
Fragments1
Non HAtoms25
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond3
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms18
Sp3Atoms1
Symmetricatoms2
Aromatic Nitrogens1
StereoCon

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