Molecule

ID:62065

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈ClN₃O
Molecular Mass
267.75452
Exact Mass
267.11383989
Charge
0
InChI
InChI=1S/C13H18ClN3O/c1-10(18)17-7-3-2-4-12(17)6-5-11-8-13(14)16-9-15-11/h8-9,12H,2-7H2,1H3
InChIKey
QJQJDYOOSYSREX-UHFFFAOYSA-N
Canonic Smiles
CC(=O)N1CCCCC1CCc1ncnc(c1)Cl
Isomeric Smiles
N1(C(=O)C)C(CCc2cc(ncn2)Cl)CCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.5595138
LogD (pH = 7.4)
1.5595273
Log P
1.5595274
Molar Refractivity
72.1467
Polarizability
27.550114
Polar Surface Area
46.09
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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