(Z)-3-(3,5-dichloro-2-hydroxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile

Formula:C15H8N2O3Cl2 Mutagenic:none Tumorigenic:high Reproductive Effective:high (Z)-3-(3,5-dichloro-2-hydroxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(Z)-3-(3,5-dichloro-2-hydroxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
MolecularFormula	C15H8N2O3Cl2
Smiles	N#C/C(/c(cc1)ccc1[N+]([O-])=O)=C\c1cc(Cl)cc(Cl)c1O
InChI	InChI=1S/C15H8Cl2N2O3/c16-12-6-10(15(20)14(17)7-12)5-11(8-18)9-1-3-13(4-2-9)19(21)22/h1-7,20H
InChIK	YCFHAVGFBAGKBL-UHFFFAOYSA-N
TotalMolweight	335.146
Molweight	335.146
MonoisotopicMass	333.991197
CLogP	3.2773
CLogS	-5.265
H Acceptors	5
H Donors	1
TotalSurfaceArea	240.3
Relative PSA	0.23754
PolarSurfaceArea	89.84
Druglikeness	-10.043
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	aromatic nitro
Shape Index	0.54545
Fragments	1
Non HAtoms	22
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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