(E)-2-(4-chlorobenzoyl)-3-(furan-2-yl)prop-2-enenitrile

Formula:C14H8NO2Cl Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-2-(4-chlorobenzoyl)-3-(furan-2-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(4-chlorobenzoyl)-3-(furan-2-yl)prop-2-enenitrile
MolecularFormula	C14H8NO2Cl
Smiles	N#C/C(/C(c(cc1)ccc1Cl)=O)=C\c1ccco1
InChI	InChI=1S/C14H8ClNO2/c15-12-5-3-10(4-6-12)14(17)11(9-16)8-13-2-1-7-18-13/h1-8H
InChIK	WJLHZGOYHLEDMF-UHFFFAOYSA-N
TotalMolweight	257.676
Molweight	257.676
MonoisotopicMass	257.024356
CLogP	2.9505
CLogS	-4.53
H Acceptors	3
TotalSurfaceArea	202.3
Relative PSA	0.20124
PolarSurfaceArea	54
Druglikeness	-3.8743
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.61111
Fragments	1
Non HAtoms	18
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Symmetricatoms	2
StereoCon

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