Molecule

ID:60113

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁NO₃
Molecular Mass
251.32144
Exact Mass
251.15214354
Charge
0
InChI
InChI=1S/C14H21NO3/c1-9(16)15-8-13-3-10-2-11(4-13)6-14(5-10,7-13)12(17)18/h10-11H,2-8H2,1H3,(H,15,16)(H,17,18)
InChIKey
MORUZSVHEJQCOF-UHFFFAOYSA-N
Canonic Smiles
CC(=O)NCC12CC3CC(C1)CC(C2)(C3)C(=O)O
Isomeric Smiles
C12CC3(CC(C1)CC(C2)(C3)C(=O)O)CNC(=O)C
Calculated Properties
JChem
Acid pKa
4.4911146
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.062836684
LogD (pH = 7.4)
-1.7051438
Log P
1.1110171
Molar Refractivity
65.7394
Polarizability
26.083776
Polar Surface Area
66.4
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
No Data Available
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Molecule Details
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References
Bioactivity
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