Molecule

ID:109153

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅NO
Molecular Mass
129.2001
Exact Mass
129.11536411
Charge
0
InChI
InChI=1S/C7H15NO/c1-6(2)8(5-9)7(3)4/h5-7H,1-4H3
InChIKey
UNBDDZDKBWPHAX-UHFFFAOYSA-N
Canonic Smiles
O=CN(C(C)C)C(C)C
Isomeric Smiles
CC(C)N(C=O)C(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.9151309
LogD (pH = 7.4)
0.91513103
Log P
0.91513103
Molar Refractivity
38.1036
Polarizability
14.829458
Polar Surface Area
20.31
Rotatable Bonds
2
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
References
Bioactivity
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