Molecule

ID:62637

General Information
Structure
Molecular Formula
C₁₁H₁₇Cl₂N₃
Molecular Mass
262.17878
Exact Mass
261.07995292
Charge
0
InChI
InChI=1S/C11H16ClN3.ClH/c1-8(2)15-7-3-4-9(15)10-11(12)14-6-5-13-10;/h5-6,8-9H,3-4,7H2,1-2H3;1H
InChIKey
YEKHMWAFYCEALB-UHFFFAOYSA-N
Canonic Smiles
CC(N1CCCC1c1nccnc1Cl)C.Cl
Isomeric Smiles
c1(C2N(C(C)C)CCC2)c(nccn1)Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.36395687
LogD (pH = 7.4)
1.6571819
Log P
1.7761282
Molar Refractivity
62.0845
Polarizability
24.17201
Polar Surface Area
29.02
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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