Molecule

ID:34504

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅NO
Molecular Mass
129.2001
Exact Mass
129.11536411
Charge
0
InChI
InChI=1S/C7H15NO/c1-7(6-9)8-4-2-3-5-8/h7,9H,2-6H2,1H3
InChIKey
OIINYTXPBGXEEH-UHFFFAOYSA-N
Canonic Smiles
OCC(N1CCCC1)C
Isomeric Smiles
N1(C(CO)C)CCCC1
Calculated Properties
JChem
Acid pKa
15.121645
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.1313043
LogD (pH = 7.4)
-2.1710012
Log P
0.32243994
Molar Refractivity
38.2402
Polarizability
15.038956
Polar Surface Area
23.47
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
暂无数据
点击上传数据
References
Bioactivity
Navigation