Molecule

ID:85108

General Information
Structure
MolImage
Molecular Formula
C₁₄H₃₁ClN₂O₄
Molecular Mass
326.85994
Exact Mass
326.19723516
Charge
0
InChI
InChI=1S/C14H30N2.ClHO4/c1-12(2,3)10-11(15-13(4,5)6)16-14(7,8)9;2-1(3,4)5/h10H2,1-9H3,(H,15,16);(H,2,3,4,5)
InChIKey
ZHIYPQFLVUXUSD-UHFFFAOYSA-N
Canonic Smiles
CC(C[C+](NC(C)(C)C)NC(C)(C)C)(C)C.[O-][Cl](=O)(=O)=O
Isomeric Smiles
[Cl](=O)(=O)(=O)[O-].N([C+](NC(C)(C)C)CC(C)(C)C)C(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.626
LogD (pH = 7.4)
2.626
Log P
2.626
Molar Refractivity
84.3117
Polarizability
29.785887
Polar Surface Area
24.06
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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