Molecule

ID:31369

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀N₂
Molecular Mass
146.1891
Exact Mass
146.08439833
Charge
0
InChI
InChI=1S/C9H10N2/c1-11-5-4-7-6-8(10)2-3-9(7)11/h2-6H,10H2,1H3
InChIKey
PGTSGPCXPIFQEL-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)ccn2C
Isomeric Smiles
n1(c2c(cc1)cc(cc2)N)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.458482
LogD (pH = 7.4)
1.4666528
Log P
1.4667579
Molar Refractivity
46.7416
Polarizability
18.504293
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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