(E)-2-cyano-N-cyclopentyl-3-(2-hydroxyphenyl)prop-2-enamide

Formula:C15H16N2O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-cyano-N-cyclopentyl-3-(2-hydroxyphenyl)prop-2-enamide is a drug-like molecule.

MolName(E)-2-cyano-N-cyclopentyl-3-(2-hydroxyphenyl)prop-2-enamide
MolecularFormulaC15H16N2O2
SmilesN#C/C(/C(NC1CCCC1)=O)=C\c(cccc1)c1O
InChIInChI=1S/C15H16N2O2/c16-10-12(9-11-5-1-4-8-14(11)18)15(19)17-13-6-2-3-7-13/h1,4-5,8-9,13,18H,2-3,6-7H2,(H,17,19)
InChIKGADXBTCOTAAUSI-UHFFFAOYSA-N
TotalMolweight256.304
Molweight256.304
MonoisotopicMass256.121178
CLogP2.1476
CLogS-3.271
H Acceptors4
H Donors2
TotalSurfaceArea209.28
Relative PSA0.24446
PolarSurfaceArea73.12
Druglikeness-3.5063
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionstwice activated DB
Shape Index0.57895
Fragments1
Non HAtoms19
NonCHAtoms4
Electronegative Atoms4
Rotatable Bond3
Rings Closures2
Small Rings2
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms6
Symmetricatoms2
Amides1
StereoCon

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