Molecule

ID:72947

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂
Molecular Mass
174.24226
Exact Mass
174.11569846
Charge
0
InChI
InChI=1S/C11H14N2/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11/h3-7,12H,8H2,1-2H3
InChIKey
OCDGBSUVYYVKQZ-UHFFFAOYSA-N
Canonic Smiles
CN(Cc1c[nH]c2c1cccc2)C
Isomeric Smiles
c12c(cccc1)[nH]cc2CN(C)C
Calculated Properties
JChem
LogD (pH = 7.4)
0.42
LogD (pH = 5.5)
-1.18
Log P
2.01
Rotatable Bonds
2
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
8.99
Polar Surface Area
19.03
Polarizability
20.24
Molar Refractivity
55.69
LOG S
-1.94
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
References
Bioactivity
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