Molecule

ID:15412

General Information
Structure
MolImage
Molecular Formula
C₅H₁₄ClNO
Molecular Mass
139.62376
Exact Mass
139.07639175
Charge
0
InChI
InChI=1S/C5H13NO.ClH/c1-3-7-4-5(2)6;/h5H,3-4,6H2,1-2H3;1H
InChIKey
UMXZWKSCBDODJL-UHFFFAOYSA-N
Canonic Smiles
CCOCC(N)C.Cl
Isomeric Smiles
NC(COCC)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.9025874
LogD (pH = 7.4)
-2.1145782
Log P
0.1009486
Molar Refractivity
30.1297
Polarizability
12.157154
Polar Surface Area
35.25
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