Molecule

ID:50751

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅NO
Molecular Mass
141.2108
Exact Mass
141.11536411
Charge
0
InChI
InChI=1S/C8H15NO/c1-7(2)8(10)5-6-9(3)4/h5-7H,1-4H3/b6-5+
InChIKey
KLNDLIOPBBBDGL-AATRIKPKSA-N
Canonic Smiles
CN(/C=C/C(=O)C(C)C)C
Isomeric Smiles
C(=C\N(C)C)/C(=O)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.66965103
LogD (pH = 7.4)
1.6445383
Log P
1.69413
Molar Refractivity
43.7484
Polarizability
16.431282
Polar Surface Area
20.31
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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