Molecule

ID:132782

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₇ClN₄O₃
Molecular Mass
310.82078
Exact Mass
310.17716842
Charge
0
InChI
InChI=1S/C12H26N4O3.ClH/c13-7-3-1-5-9(15)11(17)16-10(12(18)19)6-2-4-8-14;/h9-10H,1-8,13-15H2,(H,16,17)(H,18,19);1H
InChIKey
ROGKVZGKYWMMAT-UHFFFAOYSA-N
Canonic Smiles
NCCCCC(C(=O)NC(C(=O)O)CCCCN)N.Cl
Isomeric Smiles
C(CCN)CC(C(=O)NC(CCCCN)C(=O)O)N.Cl
Calculated Properties
JChem
Acid pKa
3.8534338
H Acceptors
6
H Donor
5
LogD (pH = 5.5)
-9.348163
LogD (pH = 7.4)
-7.1055927
Log P
-3.9674253
Molar Refractivity
72.4191
Polarizability
29.15804
Polar Surface Area
144.46
Rotatable Bonds
11
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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