(Z)-3-(2,4-dihydroxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile

Formula:C15H10N2O4 Mutagenic:none Tumorigenic:low Reproductive Effective:high (Z)-3-(2,4-dihydroxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(Z)-3-(2,4-dihydroxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
MolecularFormula	C15H10N2O4
Smiles	N#C/C(/c(cc1)ccc1[N+]([O-])=O)=C\c(ccc(O)c1)c1O
InChI	InChI=1S/C15H10N2O4/c16-9-12(7-11-3-6-14(18)8-15(11)19)10-1-4-13(5-2-10)17(20)21/h1-8,18-19H
InChIK	ZWIKGHGEQFYEMR-UHFFFAOYSA-N
TotalMolweight	282.254
Molweight	282.254
MonoisotopicMass	282.064058
CLogP	1.7196
CLogS	-3.497
H Acceptors	6
H Donors	2
TotalSurfaceArea	215.81
Relative PSA	0.32519
PolarSurfaceArea	110.07
Druglikeness	-10.172
Mutagenic	none
Tumorigenic	low
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.61905
Fragments	1
Non HAtoms	21
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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