Molecule

ID:127422

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₄
Molecular Mass
265.30496
Exact Mass
265.13140809
Charge
0
InChI
InChI=1S/C14H19NO4/c1-10(16)14(15-4-6-17-7-5-15)11-2-3-12-13(8-11)19-9-18-12/h2-3,8,10,14,16H,4-7,9H2,1H3/t10-,14-/m0/s1
InChIKey
KFSXLIJSXOJBCB-HZMBPMFUSA-N
Canonic Smiles
C[C@@H]([C@@H](c1ccc2c(c1)OCO2)N1CCOCC1)O
Isomeric Smiles
O[C@H]([C@H](N1CCOCC1)c1ccc2OCOc2c1)C
Calculated Properties
JChem
Acid pKa
14.8125105
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.20511748
LogD (pH = 7.4)
1.0691004
Log P
1.1056157
Molar Refractivity
69.8234
Polarizability
27.806122
Polar Surface Area
51.16
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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