Molecule

ID:44712

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀ClN₃
Molecular Mass
171.6274
Exact Mass
171.05632502
Charge
0
InChI
InChI=1S/C7H10ClN3/c1-5-9-6(8)4-7(10-5)11(2)3/h4H,1-3H3
InChIKey
MEFOLQWSRBDONE-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(nc(n1)C)N(C)C
Isomeric Smiles
n1c(cc(nc1C)Cl)N(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.2274582
LogD (pH = 7.4)
2.2409155
Log P
2.2410898
Molar Refractivity
47.9549
Polarizability
17.084326
Polar Surface Area
29.02
Rotatable Bonds
1
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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