Molecule

ID:35818

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃NO₂
Molecular Mass
237.33792
Exact Mass
237.17287898
Charge
0
InChI
InChI=1S/C14H23NO2/c15-12(1-2-13(16)17)14-6-9-3-10(7-14)5-11(4-9)8-14/h9-12H,1-8,15H2,(H,16,17)
InChIKey
DDXURTFOYAJBFN-UHFFFAOYSA-N
Canonic Smiles
NC(C12CC3CC(C2)CC(C1)C3)CCC(=O)O
Isomeric Smiles
C12(CC3CC(C1)CC(C2)C3)C(CCC(=O)O)N
Calculated Properties
JChem
Acid pKa
4.541814
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.43588468
LogD (pH = 7.4)
-0.39969563
Log P
-0.40005717
Molar Refractivity
65.3125
Polarizability
26.366417
Polar Surface Area
63.32
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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