Molecule

ID:120705

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClN₃
Molecular Mass
223.70196
Exact Mass
223.08762514
Charge
0
InChI
InChI=1S/C11H13N3.ClH/c1-8-4-3-5-10(6-8)14-11(12)7-9(2)13-14;/h3-7H,12H2,1-2H3;1H
InChIKey
MEVVPJHQJKXQSQ-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)n1nc(cc1N)C.Cl
Isomeric Smiles
n1(c(cc(n1)C)N)c1cc(ccc1)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9524221
LogD (pH = 7.4)
1.9640704
Log P
1.9642209
Molar Refractivity
58.0061
Polarizability
22.085625
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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