Molecule

ID:92253

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇NO
Molecular Mass
155.23738
Exact Mass
155.13101417
Charge
0
InChI
InChI=1S/C9H17NO/c1-8(2)7-10-5-3-9(11)4-6-10/h8H,3-7H2,1-2H3
InChIKey
KMTASGXMTBUSSP-UHFFFAOYSA-N
Canonic Smiles
CC(CN1CCC(=O)CC1)C
Isomeric Smiles
N1(CC(C)C)CCC(=O)CC1
Calculated Properties
JChem
Acid pKa
17.80752
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.84256756
LogD (pH = 7.4)
0.8841303
Log P
1.417436
Molar Refractivity
46.2077
Polarizability
18.177366
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
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation