Molecule

ID:62059

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈ClN₃O
Molecular Mass
267.75452
Exact Mass
267.11383989
Charge
0
InChI
InChI=1S/C13H18ClN3O/c1-10(18)17-7-2-3-11(4-8-17)9-12-13(14)16-6-5-15-12/h5-6,11H,2-4,7-9H2,1H3
InChIKey
FAMOJTRMHIHCIH-UHFFFAOYSA-N
Canonic Smiles
CC(=O)N1CCCC(CC1)Cc1nccnc1Cl
Isomeric Smiles
N1(C(=O)C)CCC(Cc2c(nccn2)Cl)CCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.84017867
LogD (pH = 7.4)
0.84018326
Log P
0.8401833
Molar Refractivity
71.3754
Polarizability
27.48434
Polar Surface Area
46.09
Rotatable Bonds
2
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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