Molecule

ID:62092

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀ClN₃
Molecular Mass
253.771
Exact Mass
253.13457534
Charge
0
InChI
InChI=1S/C13H20ClN3/c1-10(2)17-7-3-4-12(17)6-5-11-8-13(14)16-9-15-11/h8-10,12H,3-7H2,1-2H3
InChIKey
WJWYICPOXHNXFC-UHFFFAOYSA-N
Canonic Smiles
CC(N1CCCC1CCc1ncnc(c1)Cl)C
Isomeric Smiles
N1(C(CCc2cc(ncn2)Cl)CCC1)C(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.76655954
LogD (pH = 7.4)
0.35201177
Log P
2.6614475
Molar Refractivity
72.4419
Polarizability
27.763725
Polar Surface Area
29.02
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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