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

Formula:C16H13N5O3 Mutagenic:none Tumorigenic:none Reproductive Effective:high 5-amino-3-[(Z)-2-(1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile is a drug-like molecule.

MolName	5-amino-3-[(Z)-2-(1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
MolecularFormula	C16H13N5O3
Smiles	Nc(n(CCO)nc1/C(/C#N)=C/c(cc2)cc3c2OCO3)c1C#N
InChI	InChI=1S/C16H13N5O3/c17-7-11(5-10-1-2-13-14(6-10)24-9-23-13)15-12(8-18)16(19)21(20-15)3-4-22/h1-2,5-6,22H,3-4,9,19H2
InChIK	DXDHQFJOCFMXFN-UHFFFAOYSA-N
TotalMolweight	323.311
Molweight	323.311
MonoisotopicMass	323.10184
CLogP	0.3993
CLogS	-4.003
H Acceptors	8
H Donors	2
TotalSurfaceArea	251.76
Relative PSA	0.37071
PolarSurfaceArea	130.11
Druglikeness	-0.77803
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	7
Aromatic Nitrogens	2
StereoCon

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