(E)-3-[1-(2-cyanoethyl)-3-naphthalen-1-ylpyrazol-4-yl]prop-2-enoate

Formula:C19H14N3O2 Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-3-[1-(2-cyanoethyl)-3-naphthalen-1-ylpyrazol-4-yl]prop-2-enoate is a drug-like molecule.

MolName	(E)-3-[1-(2-cyanoethyl)-3-naphthalen-1-ylpyrazol-4-yl]prop-2-enoate
MolecularFormula	C19H14N3O2
Smiles	N#CCCn(cc1/C=C/C([O-])=O)nc1-c1cccc2ccccc12
InChI	InChI=1S/C19H15N3O2/c20-11-4-12-22-13-15(9-10-18(23)24)19(21-22)17-8-3-6-14-5-1-2-7-16(14)17/h1-3,5-10,13H,4,12H2,(H,23,24)/p-1
InChIK	TZEVUSGKZQZTCQ-UHFFFAOYSA-M
TotalMolweight	316.339
Molweight	316.339
MonoisotopicMass	316.108602
CLogP	0.3608
CLogS	-4.573
H Acceptors	5
TotalSurfaceArea	256.59
Relative PSA	0.22885
PolarSurfaceArea	81.74
Druglikeness	-3.3965
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	24
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	3
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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