Molecule

ID:34718

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂
Molecular Mass
122.1677
Exact Mass
122.08439833
Charge
0
InChI
InChI=1S/C7H10N2/c8-5-4-7-3-1-2-6-9-7/h1-3,6H,4-5,8H2
InChIKey
XPQIPUZPSLAZDV-UHFFFAOYSA-N
Canonic Smiles
NCCc1ccccn1
Isomeric Smiles
n1c(CCN)cccc1
Calculated Properties
JChem
LogD (pH = 7.4)
-1.53
LogD (pH = 5.5)
-2.75
Log P
0.20
Rotatable Bonds
2
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
9.15
Polar Surface Area
38.91
Polarizability
13.77
Molar Refractivity
36.55
LOG S
-0.08
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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