Molecule

ID:62826

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉Cl₂N₃O
Molecular Mass
268.18336
Exact Mass
267.0905176
Charge
0
InChI
InChI=1S/C10H17N3O.2ClH/c14-5-3-9-6-10(13-12-9)8-2-1-4-11-7-8;;/h6,8,11,14H,1-5,7H2,(H,12,13);2*1H
InChIKey
IDGZFSUUCBRBAS-UHFFFAOYSA-N
Canonic Smiles
OCCc1[nH]nc(c1)C1CCCNC1.Cl.Cl
Isomeric Smiles
n1c(cc([nH]1)CCO)C1CNCCC1.Cl.Cl
Calculated Properties
JChem
Acid pKa
14.859908
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-3.312965
LogD (pH = 7.4)
-2.346681
Log P
-0.11910358
Molar Refractivity
56.1733
Polarizability
21.28544
Polar Surface Area
60.94
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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