[(E)-3-phenylprop-2-enyl] N-cyclohexylcarbamate

Formula:C16H21NO2 Mutagenic:low Tumorigenic:low Reproductive Effective:none [(E)-3-phenylprop-2-enyl] N-cyclohexylcarbamate is a drug-like molecule.

MolName[(E)-3-phenylprop-2-enyl] N-cyclohexylcarbamate
MolecularFormulaC16H21NO2
SmilesO=C(NC1CCCCC1)OC/C=C/c1ccccc1
InChIInChI=1S/C16H21NO2/c18-16(17-15-11-5-2-6-12-15)19-13-7-10-14-8-3-1-4-9-14/h1,3-4,7-10,15H,2,5-6,11-13H2,(H,17,18)
InChIKOIGDQZWKPRNDGP-UHFFFAOYSA-N
TotalMolweight259.348
Molweight259.348
MonoisotopicMass259.157229
CLogP3.5928
CLogS-4.18
H Acceptors3
H Donors1
TotalSurfaceArea220.53
Relative PSA0.15644
PolarSurfaceArea38.33
Druglikeness-17.59
Mutageniclow
Tumorigeniclow
Reproductive Effectivenone
Irritanthigh
Nasty Functions
Shape Index0.73684
Fragments1
Non HAtoms19
NonCHAtoms3
Electronegative Atoms3
Rotatable Bond5
Rings Closures2
Small Rings2
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms8
Symmetricatoms4
Amides1
StereoCon

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