5-amino-3-[(Z)-2-(2-bromophenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile

Formula:C15H12N5OBr Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-amino-3-[(Z)-2-(2-bromophenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile is a drug-like molecule.

MolName	5-amino-3-[(Z)-2-(2-bromophenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
MolecularFormula	C15H12N5OBr
Smiles	Nc(n(CCO)nc1/C(/C#N)=C/c(cccc2)c2Br)c1C#N
InChI	InChI=1S/C15H12BrN5O/c16-13-4-2-1-3-10(13)7-11(8-17)14-12(9-18)15(19)21(20-14)5-6-22/h1-4,7,22H,5-6,19H2
InChIK	UREGKRWEHZWNBF-UHFFFAOYSA-N
TotalMolweight	358.198
Molweight	358.198
MonoisotopicMass	357.022521
CLogP	1.0131
CLogS	-4.126
H Acceptors	6
H Donors	2
TotalSurfaceArea	250.13
Relative PSA	0.29317
PolarSurfaceArea	111.65
Druglikeness	-2.4942
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54545
Fragments	1
Non HAtoms	22
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Aromatic Nitrogens	2
StereoCon

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