(E)-N-[2-(1,3-benzoxazol-2-yl)phenyl]-3-(5-nitrothiophen-2-yl)prop-2-enamide

Formula:C20H13N3O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[2-(1,3-benzoxazol-2-yl)phenyl]-3-(5-nitrothiophen-2-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-[2-(1,3-benzoxazol-2-yl)phenyl]-3-(5-nitrothiophen-2-yl)prop-2-enamide
MolecularFormula	C20H13N3O4S
Smiles	[O-][N+](c1ccc(/C=C/C(Nc(cccc2)c2-c2nc(cccc3)c3o2)=O)s1)=O
InChI	InChI=1S/C20H13N3O4S/c24-18(11-9-13-10-12-19(28-13)23(25)26)21-15-6-2-1-5-14(15)20-22-16-7-3-4-8-17(16)27-20/h1-12H,(H,21,24)
InChIK	RKASYNJDHGMVCT-UHFFFAOYSA-N
TotalMolweight	391.406
Molweight	391.406
MonoisotopicMass	391.062677
CLogP	3.9257
CLogS	-7.108
H Acceptors	7
H Donors	1
TotalSurfaceArea	291.15
Relative PSA	0.3447
PolarSurfaceArea	129.19
Druglikeness	-3.6236
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	1
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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