CN(C1CCC(CC1)O)C(=O)OC2=CC=C(C=C2)Cl
名称: (4-chlorophenyl) N-(4-hydroxycyclohexyl)-N-methylcarbamate
SMILES: CN(C1CCC(CC1)O)C(=O)OC2=CC=C(C=C2)Cl

Molecular Processing

Molecular formula
C14H18ClNO3
Molecular weight
283.75
Exact mass
283.0975
XLogP
3.07
TPSA
49.77
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
73.5

Supplementary Information

InChIKey: IRKVDFBGOHHVNQ-UHFFFAOYSA-N
同義語
SCHEMBL4797473SCHEMBL4797476IRKVDFBGOHHVNQ-HAQNSBGRSA-Ntrans-(4-Hydroxy-cyclohexyl)-methyl-carbamic acid 4-chloro-phenyl ester
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