N-[(Z)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-3-chloro-1-benzothiophene-2-carboxamide

Formula:C17H11N4O2ClS Mutagenic:high Tumorigenic:none Reproductive Effective:none N-[(Z)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-3-chloro-1-benzothiophene-2-carboxamide is a drug-like molecule.

MolName	N-[(Z)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-3-chloro-1-benzothiophene-2-carboxamide
MolecularFormula	C17H11N4O2ClS
Smiles	N/C(/NC(c(sc1c2cccc1)c2Cl)=O)=N/c1nc(cccc2)c2o1
InChI	InChI=1S/C17H11ClN4O2S/c18-13-9-5-1-4-8-12(9)25-14(13)15(23)21-16(19)22-17-20-10-6-2-3-7-11(10)24-17/h1-8H,(H3,19,20,21,22,23)
InChIK	WAYAXZKTSCLVOP-UHFFFAOYSA-N
TotalMolweight	370.819
Molweight	370.819
MonoisotopicMass	370.029123
CLogP	3.8816
CLogS	-6.585
H Acceptors	6
H Donors	2
TotalSurfaceArea	262.73
Relative PSA	0.36813
PolarSurfaceArea	121.75
Druglikeness	2.9312
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	3-halo-enone
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	18
Amides	1
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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