(E)-2-cyano-3-[1-(2-cyanoethyl)indol-3-yl]-N-(3-nitrophenyl)prop-2-enamide

Formula:C21H15N5O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-cyano-3-[1-(2-cyanoethyl)indol-3-yl]-N-(3-nitrophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-2-cyano-3-[1-(2-cyanoethyl)indol-3-yl]-N-(3-nitrophenyl)prop-2-enamide
MolecularFormula	C21H15N5O3
Smiles	N#CCCn1c(cccc2)c2c(/C=C(/C(Nc2cccc([N+]([O-])=O)c2)=O)\C#N)c1
InChI	InChI=1S/C21H15N5O3/c22-9-4-10-25-14-16(19-7-1-2-8-20(19)25)11-15(13-23)21(27)24-17-5-3-6-18(12-17)26(28)29/h1-3,5-8,11-12,14H,4,10H2,(H,24,27)
InChIK	UHHQVYCUDDGERM-UHFFFAOYSA-N
TotalMolweight	385.382
Molweight	385.382
MonoisotopicMass	385.11749
CLogP	2.1949
CLogS	-4.841
H Acceptors	8
H Donors	1
TotalSurfaceArea	305.35
Relative PSA	0.29117
PolarSurfaceArea	127.43
Druglikeness	-7.968
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.55172
Fragments	1
Non HAtoms	29
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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