Molecule

ID:60249

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉NO₃
Molecular Mass
261.31626
Exact Mass
261.13649347
Charge
0
InChI
InChI=1S/C15H19NO3/c1-2-3-4-11-5-7-13(8-6-11)16-10-12(15(18)19)9-14(16)17/h5-8,12H,2-4,9-10H2,1H3,(H,18,19)
InChIKey
LMCVFDCBQBJVTN-UHFFFAOYSA-N
Canonic Smiles
CCCCc1ccc(cc1)N1CC(CC1=O)C(=O)O
Isomeric Smiles
N1(C(=O)CC(C1)C(=O)O)c1ccc(cc1)CCCC
Calculated Properties
JChem
Acid pKa
4.0961494
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.1103864
LogD (pH = 7.4)
-0.5735511
Log P
2.5278046
Molar Refractivity
71.8623
Polarizability
27.810173
Polar Surface Area
57.61
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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