Molecule

ID:15409

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅NO
Molecular Mass
129.2001
Exact Mass
129.11536411
Charge
0
InChI
InChI=1S/C7H15NO/c1-2-9-6-7-4-3-5-8-7/h7-8H,2-6H2,1H3
InChIKey
FRXBWKFANYNBEO-UHFFFAOYSA-N
Canonic Smiles
CCOCC1CCCN1
Isomeric Smiles
N1C(COCC)CCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.6544836
LogD (pH = 7.4)
-2.3755426
Log P
0.5825185
Molar Refractivity
37.6967
Polarizability
15.112169
Polar Surface Area
21.26
Rotatable Bonds
3
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