Molecule

ID:52256

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂
Molecular Mass
122.1677
Exact Mass
122.08439833
Charge
0
InChI
InChI=1S/C7H10N2/c8-5-6-2-1-3-7(9)4-6/h1-4H,5,8-9H2
InChIKey
ZDBWYUOUYNQZBM-UHFFFAOYSA-N
Canonic Smiles
NCc1cccc(c1)N
Isomeric Smiles
NCc1cc(ccc1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.7439706
LogD (pH = 7.4)
-1.8934261
Log P
0.2700883
Molar Refractivity
39.2318
Polarizability
14.85661
Polar Surface Area
52.04
Rotatable Bonds
1
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
References
Bioactivity
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