3-amino-5-[(Z)-2-anthracen-9-yl-1-cyanoethenyl]-1H-pyrazole-4-carbonitrile

Formula:C21H13N5 Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-amino-5-[(Z)-2-anthracen-9-yl-1-cyanoethenyl]-1H-pyrazole-4-carbonitrile is a drug-like molecule.

MolName	3-amino-5-[(Z)-2-anthracen-9-yl-1-cyanoethenyl]-1H-pyrazole-4-carbonitrile
MolecularFormula	C21H13N5
Smiles	Nc1n[nH]c(/C(/C#N)=C/c2c(cccc3)c3cc3ccccc23)c1C#N
InChI	InChI=1S/C21H13N5/c22-11-15(20-19(12-23)21(24)26-25-20)10-18-16-7-3-1-5-13(16)9-14-6-2-4-8-17(14)18/h1-10H,(H3,24,25,26)
InChIK	BBGLZZLYZYCZMQ-UHFFFAOYSA-N
TotalMolweight	335.369
Molweight	335.369
MonoisotopicMass	335.117095
CLogP	3.1787
CLogS	-6.812
H Acceptors	5
H Donors	2
TotalSurfaceArea	267.2
Relative PSA	0.25206
PolarSurfaceArea	102.28
Druglikeness	-2.4146
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.42308
Fragments	1
Non HAtoms	26
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	19
Symmetricatoms	6
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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