5-amino-3-[(Z)-2-[5-(3-chlorophenyl)furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile

Formula:C23H14N5OCl Mutagenic:high Tumorigenic:high Reproductive Effective:none 5-amino-3-[(Z)-2-[5-(3-chlorophenyl)furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile is a drug-like molecule.

MolName	5-amino-3-[(Z)-2-[5-(3-chlorophenyl)furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile
MolecularFormula	C23H14N5OCl
Smiles	Nc(n(-c1ccccc1)nc1/C(/C#N)=C/c2ccc(-c3cccc(Cl)c3)o2)c1C#N
InChI	InChI=1S/C23H14ClN5O/c24-17-6-4-5-15(11-17)21-10-9-19(30-21)12-16(13-25)22-20(14-26)23(27)29(28-22)18-7-2-1-3-8-18/h1-12H,27H2
InChIK	LUICOKGVEPZELK-UHFFFAOYSA-N
TotalMolweight	411.851
Molweight	411.851
MonoisotopicMass	411.088687
CLogP	3.61
CLogS	-6.958
H Acceptors	6
H Donors	1
TotalSurfaceArea	322.26
Relative PSA	0.23068
PolarSurfaceArea	104.56
Druglikeness	-0.39771
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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