Molecule
ID:101817
General Information
Molecular Formula
C₁₀H₁₉Cl₂N₃
Molecular Mass
252.18396
Exact Mass
251.09560298
Charge
0
InChI
InChI=1S/C10H17N3.2ClH/c1-9(2)7-12-13-8-10-3-5-11-6-4-10;;/h3-6,9,12-13H,7-8H2,1-2H3;2*1H
InChIKey
VSYBGQWSDMQDBD-UHFFFAOYSA-N
Canonic Smiles
CC(CNNCc1ccncc1)C.Cl.Cl
Isomeric Smiles
n1ccc(CNNCC(C)C)cc1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.60368115
LogD (pH = 7.4)
1.1505077
Log P
1.1646657
Molar Refractivity
75.4231
Polarizability
21.50258
Polar Surface Area
36.95
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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