Molecule

ID:119141

General Information
Structure
MolImage
Molecular Formula
C₁₆H₃₂ClNO₃
Molecular Mass
321.88318
Exact Mass
321.20707157
Charge
0
InChI
InChI=1S/C16H31NO3.ClH/c18-15(14-17-12-8-5-9-13-17)10-6-3-1-2-4-7-11-16(19)20;/h15,18H,1-14H2,(H,19,20);1H
InChIKey
MQMPXIVQCYPKDX-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCCCCCCC(C[NH+]1CCCCC1)O.[Cl-]
Isomeric Smiles
[NH+]1(CC(O)CCCCCCCCC(=O)O)CCCCC1.[Cl-]
Calculated Properties
JChem
Acid pKa
4.652014
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
0.30616233
LogD (pH = 7.4)
0.3501584
Log P
0.35085154
Molar Refractivity
92.2545
Polarizability
32.066235
Polar Surface Area
61.97
Rotatable Bonds
11
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