Molecule

ID:21359

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈ClNO₃
Molecular Mass
283.75062
Exact Mass
283.09752112
Charge
0
InChI
InChI=1S/C14H18ClNO3/c1-3-9-6-10(4-5-12(9)15)19-11-7-13(16-8-11)14(17)18-2/h4-6,11,13,16H,3,7-8H2,1-2H3/t11-,13-/m0/s1
InChIKey
XVIYFCVRGXDXSS-AAEUAGOBSA-N
Canonic Smiles
COC(=O)[C@H]1NC[C@H](C1)Oc1ccc(c(c1)CC)Cl
Isomeric Smiles
N1[C@H](C(=O)OC)C[C@H](Oc2cc(c(cc2)Cl)CC)C1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.7294022
LogD (pH = 7.4)
2.74209
Log P
2.7972414
Molar Refractivity
72.8582
Polarizability
29.106075
Polar Surface Area
47.56
Rotatable Bonds
5
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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