5-amino-3-[(Z)-1-cyano-2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]ethenyl]-1-phenylpyrazole-4-carbonitrile

Formula:C28H18N6Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-amino-3-[(Z)-1-cyano-2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]ethenyl]-1-phenylpyrazole-4-carbonitrile is not a drug-like molecule.

MolName	5-amino-3-[(Z)-1-cyano-2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]ethenyl]-1-phenylpyrazole-4-carbonitrile
MolecularFormula	C28H18N6Cl2
Smiles	Nc(n(-c1ccccc1)nc1/C(/C#N)=C/c2cn(Cc(cc3)cc(Cl)c3Cl)c3c2cccc3)c1C#N
InChI	InChI=1S/C28H18Cl2N6/c29-24-11-10-18(12-25(24)30)16-35-17-20(22-8-4-5-9-26(22)35)13-19(14-31)27-23(15-32)28(33)36(34-27)21-6-2-1-3-7-21/h1-13,17H,16,33H2
InChIK	MYBJRGCESBZLNY-UHFFFAOYSA-N
TotalMolweight	509.399
Molweight	509.399
MonoisotopicMass	508.096998
CLogP	4.8068
CLogS	-7.212
H Acceptors	6
H Donors	1
TotalSurfaceArea	385.55
Relative PSA	0.17404
PolarSurfaceArea	96.35
Druglikeness	0.022823
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	36
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	26
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	3
StereoCon

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