Molecule

ID:13358

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO₃
Molecular Mass
245.2738
Exact Mass
245.10519335
Charge
0
InChI
InChI=1S/C14H15NO3/c1-10-2-4-12(18-10)8-15-7-11-3-5-13-14(6-11)17-9-16-13/h2-6,15H,7-9H2,1H3
InChIKey
LALLZDKLMLGVGB-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(o1)CNCc1ccc2c(c1)OCO2
Isomeric Smiles
c1(cc2c(cc1)OCO2)CNCc1ccc(o1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.0043675834
LogD (pH = 7.4)
1.678712
Log P
2.1391091
Molar Refractivity
67.2261
Polarizability
26.220083
Polar Surface Area
43.63
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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