Molecule

ID:18544

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂
Molecular Mass
174.24226
Exact Mass
174.11569846
Charge
0
InChI
InChI=1S/C11H14N2/c1-7-8(2)13(3)11-5-4-9(12)6-10(7)11/h4-6H,12H2,1-3H3
InChIKey
QDLZBJGHQYCOQO-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)c(C)c(n2C)C
Isomeric Smiles
n1(c(c(c2c1ccc(c2)N)C)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.171386
LogD (pH = 7.4)
2.1796343
Log P
2.1797407
Molar Refractivity
56.9325
Polarizability
22.029675
Polar Surface Area
30.95
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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