Molecule

ID:45625

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClNO₅
Molecular Mass
275.68556
Exact Mass
275.05605023
Charge
0
InChI
InChI=1S/C11H13NO5.ClH/c1-15-10(13)8-5-7(6-12-8)17-11(14)9-3-2-4-16-9;/h2-4,7-8,12H,5-6H2,1H3;1H/t7-,8-;/m0./s1
InChIKey
UPUDNYKCLICPCY-WSZWBAFRSA-N
Canonic Smiles
COC(=O)[C@H]1NC[C@H](C1)OC(=O)c1ccco1.Cl
Isomeric Smiles
C(=O)(c1occc1)O[C@H]1C[C@H](NC1)C(=O)OC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.4161756
LogD (pH = 7.4)
0.42252147
Log P
0.45660153
Molar Refractivity
56.3642
Polarizability
22.517511
Polar Surface Area
77.77
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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