(Z)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]-3-(5-nitrofuran-2-yl)prop-2-enamide

Formula:C18H14N4O4 Mutagenic:high Tumorigenic:high Reproductive Effective:none (Z)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]-3-(5-nitrofuran-2-yl)prop-2-enamide is a drug-like molecule.

MolName	(Z)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]-3-(5-nitrofuran-2-yl)prop-2-enamide
MolecularFormula	C18H14N4O4
Smiles	N#C/C(/C(NCCc1c[nH]c2c1cccc2)=O)=C/c1ccc([N+]([O-])=O)o1
InChI	InChI=1S/C18H14N4O4/c19-10-13(9-14-5-6-17(26-14)22(24)25)18(23)20-8-7-12-11-21-16-4-2-1-3-15(12)16/h1-6,9,11,21H,7-8H2,(H,20,23)
InChIK	HPMKKDZZQQZXEQ-UHFFFAOYSA-N
TotalMolweight	350.333
Molweight	350.333
MonoisotopicMass	350.101506
CLogP	1.7857
CLogS	-4.89
H Acceptors	8
H Donors	2
TotalSurfaceArea	273.7
Relative PSA	0.35287
PolarSurfaceArea	127.64
Druglikeness	-4.246
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	14
Sp3Atoms	3
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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