3-[(Z)-2-(1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonitrile

Formula:C24H15N5O2 Mutagenic:none Tumorigenic:none Reproductive Effective:high 3-[(Z)-2-(1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonitrile is a drug-like molecule.

MolName	3-[(Z)-2-(1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonitrile
MolecularFormula	C24H15N5O2
Smiles	N#C/C(/c(c(C#N)c1-n2cccc2)nn1-c1ccccc1)=C\c(cc1)cc2c1OCO2
InChI	InChI=1S/C24H15N5O2/c25-14-18(12-17-8-9-21-22(13-17)31-16-30-21)23-20(15-26)24(28-10-4-5-11-28)29(27-23)19-6-2-1-3-7-19/h1-13H,16H2
InChIK	FGWYBKRIYIIHEL-UHFFFAOYSA-N
TotalMolweight	405.416
Molweight	405.416
MonoisotopicMass	405.122575
CLogP	4.1273
CLogS	-6.3
H Acceptors	7
TotalSurfaceArea	318.09
Relative PSA	0.22582
PolarSurfaceArea	88.79
Druglikeness	-1.1223
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.45161
Fragments	1
Non HAtoms	31
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	3
Symmetricatoms	4
Aromatic Nitrogens	3
StereoCon

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