Molecule

ID:30437

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇Cl₂N₃
Molecular Mass
262.17878
Exact Mass
261.07995292
Charge
0
InChI
InChI=1S/C11H15N3.2ClH/c1-7(2)11-13-9-6-8(12)4-5-10(9)14(11)3;;/h4-7H,12H2,1-3H3;2*1H
InChIKey
XKIMFGUHEXUGGQ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)nc(n2C)C(C)C.Cl.Cl
Isomeric Smiles
n1c(n(c2c1cc(cc2)N)C)C(C)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.700252
LogD (pH = 7.4)
1.7121265
Log P
2.020841
Molar Refractivity
58.2077
Polarizability
23.021027
Polar Surface Area
43.84
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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