Molecule

ID:3893

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃NO₂
Molecular Mass
143.18362
Exact Mass
143.09462866
Charge
0
InChI
InChI=1S/C7H13NO2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3/t6-/m0/s1
InChIKey
CMUNUTVVOOHQPW-LURJTMIESA-N
Canonic Smiles
[O-]C(=O)[C@@H]1CCC[N+]1(C)C
Isomeric Smiles
C[N+]1(C)CCC[C@H]1C(=O)[O-]
Calculated Properties
JChem
LogD (pH = 7.4)
-3.11
LogD (pH = 5.5)
-3.11
Log P
-3.88
Rotatable Bonds
1
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
3.26
Polar Surface Area
40.13
Polarizability
14.99
Molar Refractivity
60.11
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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