(E)-3-(4-chloro-3-nitrophenyl)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide

Formula:C20H15N4O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-chloro-3-nitrophenyl)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(4-chloro-3-nitrophenyl)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
MolecularFormula	C20H15N4O3Cl
Smiles	N#C/C(/C(NCCc1c[nH]c2c1cccc2)=O)=C\c(cc1)cc([N+]([O-])=O)c1Cl
InChI	InChI=1S/C20H15ClN4O3/c21-17-6-5-13(10-19(17)25(27)28)9-15(11-22)20(26)23-8-7-14-12-24-18-4-2-1-3-16(14)18/h1-6,9-10,12,24H,7-8H2,(H,23,26)
InChIK	GDIPTTJBIMTSTF-UHFFFAOYSA-N
TotalMolweight	394.817
Molweight	394.817
MonoisotopicMass	394.083268
CLogP	2.8516
CLogS	-5.419
H Acceptors	7
H Donors	2
TotalSurfaceArea	299.43
Relative PSA	0.27542
PolarSurfaceArea	114.5
Druglikeness	-5.9644
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	3
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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