Molecule

ID:8574

General Information
Structure
Molecular Formula
C₉H₁₅NO
Molecular Mass
153.2215
Exact Mass
153.11536411
Charge
0
InChI
InChI=1S/C9H15NO/c1-10-7-3-2-4-8(10)6-9(11)5-7/h7-8H,2-6H2,1H3
InChIKey
RHWSKVCZXBAWLZ-UHFFFAOYSA-N
Canonic Smiles
O=C1CC2CCCC(C1)N2C
Isomeric Smiles
N1(C2CC(=O)CC1CCC2)C
Calculated Properties
JChem
Acid pKa
18.05042
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.8831013
LogD (pH = 7.4)
-0.17808506
Log P
1.143033
Molar Refractivity
43.9459
Polarizability
17.446566
Polar Surface Area
20.31
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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