Molecule

ID:63048

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉Cl₂N₃O
Molecular Mass
268.18336
Exact Mass
267.0905176
Charge
0
InChI
InChI=1S/C10H17N3O.2ClH/c1-13-9(3-5-14)6-10(12-13)8-2-4-11-7-8;;/h6,8,11,14H,2-5,7H2,1H3;2*1H
InChIKey
WVKGRBDWRDHKQA-UHFFFAOYSA-N
Canonic Smiles
OCCc1cc(nn1C)C1CNCC1.Cl.Cl
Isomeric Smiles
n1n(c(cc1C1CNCC1)CCO)C.Cl.Cl
Calculated Properties
JChem
Acid pKa
15.861079
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.6758273
LogD (pH = 7.4)
-3.3425186
Log P
-0.43999618
Molar Refractivity
66.7883
Polarizability
21.205845
Polar Surface Area
50.08
Rotatable Bonds
3
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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