Molecule

ID:21327

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈ClNO₃
Molecular Mass
283.75062
Exact Mass
283.09752112
Charge
0
InChI
InChI=1S/C14H18ClNO3/c1-8-4-10(5-9(2)13(8)15)19-11-6-12(16-7-11)14(17)18-3/h4-5,11-12,16H,6-7H2,1-3H3/t11?,12-/m0/s1
InChIKey
AWUPDKHJMURXRH-KIYNQFGBSA-N
Canonic Smiles
COC(=O)[C@H]1NCC(C1)Oc1cc(C)c(c(c1)C)Cl
Isomeric Smiles
N1[C@H](C(=O)OC)CC(Oc2cc(c(c(c2)C)Cl)C)C1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.7951375
LogD (pH = 7.4)
2.8105323
Log P
2.866094
Molar Refractivity
73.2984
Polarizability
29.031305
Polar Surface Area
47.56
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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