N-[(E)-1-(1H-benzimidazol-2-yl)-2-(furan-2-yl)ethenyl]thiophene-2-carboxamide

Formula:C18H13N3O2S Mutagenic:high Tumorigenic:none Reproductive Effective:none N-[(E)-1-(1H-benzimidazol-2-yl)-2-(furan-2-yl)ethenyl]thiophene-2-carboxamide is a drug-like molecule.

MolName	N-[(E)-1-(1H-benzimidazol-2-yl)-2-(furan-2-yl)ethenyl]thiophene-2-carboxamide
MolecularFormula	C18H13N3O2S
Smiles	O=C(c1cccs1)N/C(/c1nc(cccc2)c2[nH]1)=C/c1ccco1
InChI	InChI=1S/C18H13N3O2S/c22-18(16-8-4-10-24-16)21-15(11-12-5-3-9-23-12)17-19-13-6-1-2-7-14(13)20-17/h1-11H,(H,19,20)(H,21,22)
InChIK	QCLHOJMPEZNSLH-UHFFFAOYSA-N
TotalMolweight	335.386
Molweight	335.386
MonoisotopicMass	335.072847
CLogP	3.1601
CLogS	-3.916
H Acceptors	5
H Donors	2
TotalSurfaceArea	255.26
Relative PSA	0.3288
PolarSurfaceArea	99.16
Druglikeness	3.8107
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.45833
Fragments	1
Non HAtoms	24
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	19
Amides	1
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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