Molecule

ID:131184

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClNO₃
Molecular Mass
245.70264
Exact Mass
245.08187106
Charge
0
InChI
InChI=1S/C11H15NO3.ClH/c1-11(12,10(14)15-2)7-8-4-3-5-9(13)6-8;/h3-6,13H,7,12H2,1-2H3;1H
InChIKey
OOBCZANIKTUOPQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(Cc1cccc(c1)O)(N)C.Cl
Isomeric Smiles
CC(Cc1cccc(c1)O)(C(=O)OC)N.Cl
Calculated Properties
JChem
Acid pKa
9.461351
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.33768594
LogD (pH = 7.4)
1.136264
Log P
1.3527097
Molar Refractivity
56.5796
Polarizability
22.433048
Polar Surface Area
72.55
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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