Molecule

ID:58134

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅NO
Molecular Mass
153.2215
Exact Mass
153.11536411
Charge
0
InChI
InChI=1S/C9H15NO/c11-8-6-9(7-10-8)4-2-1-3-5-9/h1-7H2,(H,10,11)
InChIKey
JAWPQJDOQPSNIQ-UHFFFAOYSA-N
Canonic Smiles
O=C1NCC2(C1)CCCCC2
Isomeric Smiles
C12(CCCCC1)CNC(=O)C2
Calculated Properties
JChem
Acid pKa
14.92189
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.0333444
LogD (pH = 7.4)
1.0333445
Log P
1.0333445
Molar Refractivity
43.1284
Polarizability
17.056831
Polar Surface Area
29.1
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
References
Bioactivity
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