(E)-3-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-2-(piperidine-1-carbonyl)prop-2-enenitrile

Formula:C19H16N3O4Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-2-(piperidine-1-carbonyl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-2-(piperidine-1-carbonyl)prop-2-enenitrile
MolecularFormula	C19H16N3O4Cl
Smiles	N#C/C(/C(N1CCCCC1)=O)=C\c1ccc(-c(ccc(Cl)c2)c2[N+]([O-])=O)o1
InChI	InChI=1S/C19H16ClN3O4/c20-14-4-6-16(17(11-14)23(25)26)18-7-5-15(27-18)10-13(12-21)19(24)22-8-2-1-3-9-22/h4-7,10-11H,1-3,8-9H2
InChIK	AVUCNRWHQFOMDB-UHFFFAOYSA-N
TotalMolweight	385.806
Molweight	385.806
MonoisotopicMass	385.082934
CLogP	3.3024
CLogS	-5.513
H Acceptors	7
TotalSurfaceArea	291.57
Relative PSA	0.25613
PolarSurfaceArea	103.06
Druglikeness	-5.9663
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	6
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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