Molecule

ID:30104

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃NO₄
Molecular Mass
281.34742
Exact Mass
281.16270822
Charge
0
InChI
InChI=1S/C15H23NO4/c1-8(2)10(12(18)19)16-11(17)9-6-7-15(5,13(16)20)14(9,3)4/h8-10H,6-7H2,1-5H3,(H,18,19)
InChIKey
NVJSVRZFMALLFZ-UHFFFAOYSA-N
Canonic Smiles
CC(C(N1C(=O)C2CCC(C1=O)(C2(C)C)C)C(=O)O)C
Isomeric Smiles
N1(C(=O)C2(C(C(C1=O)CC2)(C)C)C)C(C(=O)O)C(C)C
Calculated Properties
JChem
Acid pKa
4.0341544
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.89762396
LogD (pH = 7.4)
-0.7648099
Log P
2.3743432
Molar Refractivity
72.2247
Polarizability
28.748281
Polar Surface Area
74.68
Rotatable Bonds
3
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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