Molecule

ID:86977

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅NO
Molecular Mass
153.2215
Exact Mass
153.11536411
Charge
0
InChI
InChI=1S/C9H15NO/c1-8(7-9(2)11)10-5-3-4-6-10/h7H,3-6H2,1-2H3
InChIKey
CWUMGRRVCLAYKC-UHFFFAOYSA-N
Canonic Smiles
C/C(=C\C(=O)C)/N1CCCC1
Isomeric Smiles
N1(/C(=C/C(=O)C)/C)CCCC1
Calculated Properties
JChem
Acid pKa
19.234053
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.0973743
LogD (pH = 7.4)
0.55413955
Log P
0.9287446
Molar Refractivity
47.9071
Polarizability
17.543316
Polar Surface Area
20.31
Rotatable Bonds
2
Lipinski's Rule of Five
true
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
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References
Bioactivity
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