Molecule

ID:33333

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉NO₂
Molecular Mass
185.26336
Exact Mass
185.14157885
Charge
0
InChI
InChI=1S/C10H19NO2/c1-8-4-3-5-9(2)11(8)7-6-10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKey
KLFBXOOZFAFSOP-UHFFFAOYSA-N
Canonic Smiles
CC1CCCC(N1CCC(=O)O)C
Isomeric Smiles
N1(CCC(=O)O)C(CCCC1C)C
Calculated Properties
JChem
Acid pKa
4.0311265
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.1538281
LogD (pH = 7.4)
-1.1422561
Log P
-1.1423128
Molar Refractivity
51.7517
Polarizability
20.459267
Polar Surface Area
40.54
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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