(Z)-3-(5-chloro-2-hydroxyphenyl)-2-(4-nitrocyclohexyl)prop-2-enenitrile

Formula:C15H15N2O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-3-(5-chloro-2-hydroxyphenyl)-2-(4-nitrocyclohexyl)prop-2-enenitrile is a drug-like molecule.

MolName	(Z)-3-(5-chloro-2-hydroxyphenyl)-2-(4-nitrocyclohexyl)prop-2-enenitrile
MolecularFormula	C15H15N2O3Cl
Smiles	N#C/C(/C(CC1)CCC1[N+]([O-])=O)=C\c(cc(cc1)Cl)c1O
InChI	InChI=1S/C15H15ClN2O3/c16-13-3-6-15(19)11(8-13)7-12(9-17)10-1-4-14(5-2-10)18(20)21/h3,6-8,10,14,19H,1-2,4-5H2
InChIK	UUKHDEYVXVRSRT-UHFFFAOYSA-N
TotalMolweight	306.748
Molweight	306.748
MonoisotopicMass	306.07712
CLogP	2.7494
CLogS	-4.59
H Acceptors	5
H Donors	1
TotalSurfaceArea	231.66
Relative PSA	0.2464
PolarSurfaceArea	89.84
Druglikeness	-10.441
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	21
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	8
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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