5-amino-3-[(Z)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-1-cyanoethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile

Formula:C24H19N6OCl Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-amino-3-[(Z)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-1-cyanoethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile is a drug-like molecule.

MolName	5-amino-3-[(Z)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-1-cyanoethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
MolecularFormula	C24H19N6OCl
Smiles	Nc(n(CCO)nc1/C(/C#N)=C/c2cn(Cc(cc3)ccc3Cl)c3c2cccc3)c1C#N
InChI	InChI=1S/C24H19ClN6O/c25-19-7-5-16(6-8-19)14-30-15-18(20-3-1-2-4-22(20)30)11-17(12-26)23-21(13-27)24(28)31(29-23)9-10-32/h1-8,11,15,32H,9-10,14,28H2
InChIK	MSMFFBAMMYAPCV-UHFFFAOYSA-N
TotalMolweight	442.909
Molweight	442.909
MonoisotopicMass	442.130886
CLogP	2.4236
CLogS	-5.006
H Acceptors	7
H Donors	2
TotalSurfaceArea	344.24
Relative PSA	0.23298
PolarSurfaceArea	116.58
Druglikeness	-0.011117
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	5
Symmetricatoms	2
Aromatic Nitrogens	3
StereoCon

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