Molecule

ID:23905

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃ClN₂
Molecular Mass
208.68732
Exact Mass
208.07672611
Charge
0
InChI
InChI=1S/C11H12N2.ClH/c1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10;/h1-4,12-13H,5-7H2;1H
InChIKey
VNAOGYKTNRGMRR-UHFFFAOYSA-N
Canonic Smiles
C1NCc2c(C1)[nH]c1c2cccc1.Cl
Isomeric Smiles
c12c([nH]c3c1cccc3)CCNC2.Cl
Calculated Properties
JChem
Acid pKa
15.921175
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
-1.8036053
LogD (pH = 7.4)
-0.669671
Log P
1.3615448
Molar Refractivity
53.69
Polarizability
21.86395
Polar Surface Area
27.82
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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