Molecule

ID:91075

General Information
Structure
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Molecular Formula
C₈H₉N
Molecular Mass
119.16376
Exact Mass
119.07349929
Charge
0
InChI
InChI=1S/C8H9N/c1-2-4-8-7(3-1)5-6-9-8/h1-4,9H,5-6H2
InChIKey
LPAGFVYQRIESJQ-UHFFFAOYSA-N
Canonic Smiles
c1ccc2c(c1)NCC2
Isomeric Smiles
N1c2c(cccc2)CC1
Calculated Properties
JChem
LogD (pH = 7.4)
1.49
LogD (pH = 5.5)
1.43
Log P
1.49
Rotatable Bonds
0
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
4.63
Polar Surface Area
12.03
Polarizability
13.50
Molar Refractivity
39.56
LOG S
-1.10
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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