Molecule

ID:81265

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀N₂
Molecular Mass
146.1891
Exact Mass
146.08439833
Charge
0
InChI
InChI=1S/C9H10N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7H,2,4,6H2
InChIKey
DPNGWXJMIILTBS-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cn1)C1=NCCC1
Isomeric Smiles
N1=C(c2cccnc2)CCC1
Calculated Properties
JChem
LogD (pH = 7.4)
0.77
LogD (pH = 5.5)
0.56
Log P
0.78
Rotatable Bonds
1
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
5.30
Polar Surface Area
25.25
Polarizability
16.20
Molar Refractivity
44.15
LOG S
-0.62
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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