Molecule

ID:76852

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂
Molecular Mass
122.1677
Exact Mass
122.08439833
Charge
0
InChI
InChI=1S/C7H10N2/c1-9(2)7-5-3-4-6-8-7/h3-6H,1-2H3
InChIKey
PSHKMPUSSFXUIA-UHFFFAOYSA-N
Canonic Smiles
CN(c1ccccn1)C
Isomeric Smiles
n1c(cccc1)N(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.5265905
LogD (pH = 7.4)
1.4063991
Log P
1.4580748
Molar Refractivity
38.6432
Polarizability
14.255907
Polar Surface Area
16.13
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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