Molecule

ID:47544

General Information
Structure
Molecular Formula
C₁₄H₂₀ClNO₃
Molecular Mass
285.7665
Exact Mass
285.11317119
Charge
0
InChI
InChI=1S/C14H19NO3.ClH/c1-9-5-4-6-13(10(9)2)18-11-7-12(15-8-11)14(16)17-3;/h4-6,11-12,15H,7-8H2,1-3H3;1H/t11-,12-;/m0./s1
InChIKey
CUYWUHWVIUXLJJ-FXMYHANSSA-N
Canonic Smiles
COC(=O)[C@H]1NC[C@H](C1)Oc1cccc(c1C)C.Cl
Isomeric Smiles
Cl.[C@@H]1(C[C@H](NC1)C(=O)OC)Oc1cccc(c1C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.1780621
LogD (pH = 7.4)
2.204744
Log P
2.2620494
Molar Refractivity
68.4936
Polarizability
27.147406
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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