Molecule

ID:80413

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅NO
Molecular Mass
129.2001
Exact Mass
129.11536411
Charge
0
InChI
InChI=1S/C7H15NO/c1-7(9)3-5-8(2)6-4-7/h9H,3-6H2,1-2H3
InChIKey
FGPBNJLOWUTYQP-UHFFFAOYSA-N
Canonic Smiles
CN1CCC(CC1)(C)O
Isomeric Smiles
N1(CCC(CC1)(O)C)C
Calculated Properties
JChem
Acid pKa
14.978457
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.444295
LogD (pH = 7.4)
-1.8833349
Log P
-0.21119428
Molar Refractivity
38.3506
Polarizability
15.038956
Polar Surface Area
23.47
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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