(Z)-2-(2-fluorophenyl)-3-(3-nitro-4-piperidin-1-ylphenyl)prop-2-enenitrile

Formula:C20H18N3O2F Mutagenic:high Tumorigenic:low Reproductive Effective:high (Z)-2-(2-fluorophenyl)-3-(3-nitro-4-piperidin-1-ylphenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(Z)-2-(2-fluorophenyl)-3-(3-nitro-4-piperidin-1-ylphenyl)prop-2-enenitrile
MolecularFormula	C20H18N3O2F
Smiles	N#C/C(/c(cccc1)c1F)=C\c(cc1)cc([N+]([O-])=O)c1N1CCCCC1
InChI	InChI=1S/C20H18FN3O2/c21-18-7-3-2-6-17(18)16(14-22)12-15-8-9-19(20(13-15)24(25)26)23-10-4-1-5-11-23/h2-3,6-9,12-13H,1,4-5,10-11H2
InChIK	WZBVEIYCGQYMCV-UHFFFAOYSA-N
TotalMolweight	351.38
Molweight	351.38
MonoisotopicMass	351.138305
CLogP	3.3448
CLogS	-5.395
H Acceptors	5
TotalSurfaceArea	275.06
Relative PSA	0.1728
PolarSurfaceArea	72.85
Druglikeness	-9.9855
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	high
Nasty Functions	aromatic nitro
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	2
Amines	1
Aromatic Amines	1
AcidicOxygens	1
StereoCon

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