Molecule

ID:62968

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉Cl₂N₃O
Molecular Mass
268.18336
Exact Mass
267.0905176
Charge
0
InChI
InChI=1S/C10H17N3O.2ClH/c14-6-5-13-8-12-7-10(13)9-1-3-11-4-2-9;;/h7-9,11,14H,1-6H2;2*1H
InChIKey
LDGSQHPHTPMTES-UHFFFAOYSA-N
Canonic Smiles
OCCn1cncc1C1CCNCC1.Cl.Cl
Isomeric Smiles
c1(n(cnc1)CCO)C1CCNCC1.Cl.Cl
Calculated Properties
JChem
Acid pKa
15.459716
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.4359865
LogD (pH = 7.4)
-3.3348632
Log P
-0.66453785
Molar Refractivity
55.5773
Polarizability
21.292564
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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