Molecule

ID:24770

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀N₂
Molecular Mass
146.1891
Exact Mass
146.08439833
Charge
0
InChI
InChI=1S/C9H10N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5,10H2
InChIKey
JXYGLMATGAAIBU-UHFFFAOYSA-N
Canonic Smiles
NCc1c[nH]c2c1cccc2
Isomeric Smiles
c1(c[nH]c2c1cccc2)CN
Calculated Properties
JChem
LogD (pH = 7.4)
-0.88
LogD (pH = 5.5)
-1.79
Log P
1.20
Rotatable Bonds
1
H Donor
2
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
9.53
Polar Surface Area
41.81
Polarizability
16.32
Molar Refractivity
45.62
LOG S
-1.84
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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