5-amino-3-[(Z)-2-(2-chloro-5-nitrophenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile

Formula:C15H11N6O3Cl Mutagenic:none Tumorigenic:high Reproductive Effective:none 5-amino-3-[(Z)-2-(2-chloro-5-nitrophenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile is a drug-like molecule.

MolName	5-amino-3-[(Z)-2-(2-chloro-5-nitrophenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
MolecularFormula	C15H11N6O3Cl
Smiles	Nc(n(CCO)nc1/C(/C#N)=C/c(cc(cc2)[N+]([O-])=O)c2Cl)c1C#N
InChI	InChI=1S/C15H11ClN6O3/c16-13-2-1-11(22(24)25)6-9(13)5-10(7-17)14-12(8-18)15(19)21(20-14)3-4-23/h1-2,5-6,23H,3-4,19H2
InChIK	VUSICOZVLDGUPN-UHFFFAOYSA-N
TotalMolweight	358.744
Molweight	358.744
MonoisotopicMass	358.058116
CLogP	-0.0277
CLogS	-4.488
H Acceptors	9
H Donors	2
TotalSurfaceArea	270.59
Relative PSA	0.38342
PolarSurfaceArea	157.47
Druglikeness	-5.7291
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	aromatic nitro
Shape Index	0.52
Fragments	1
Non HAtoms	25
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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