Molecule

ID:90917

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅Cl₂N₃O
Molecular Mass
264.1516
Exact Mass
263.05921748
Charge
0
InChI
InChI=1S/C10H13N3O.2ClH/c11-9-3-5-13(7-9)10(14)8-2-1-4-12-6-8;;/h1-2,4,6,9H,3,5,7,11H2;2*1H/t9-;;/m1../s1
InChIKey
DTWVYJHUIDJBBX-KLQYNRQASA-N
Canonic Smiles
N[C@@H]1CCN(C1)C(=O)c1cccnc1.Cl.Cl
Isomeric Smiles
N1(C[C@@H](CC1)N)C(=O)c1cnccc1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.7751179
LogD (pH = 7.4)
-2.7397544
Log P
-0.79521614
Molar Refractivity
53.2893
Polarizability
20.429749
Polar Surface Area
59.22
Rotatable Bonds
1
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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