Molecule

ID:122257

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂N₂
Molecular Mass
124.18358
Exact Mass
124.10004839
Charge
0
InChI
InChI=1S/C7H12N2/c1-3-5-9-6-4-7(2)8-9/h4,6H,3,5H2,1-2H3
InChIKey
WQJIUWZNPQTHSH-UHFFFAOYSA-N
Canonic Smiles
CCCn1ccc(n1)C
Isomeric Smiles
n1n(ccc1C)CCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.4107196
LogD (pH = 7.4)
1.4117926
Log P
1.4118063
Molar Refractivity
48.8255
Polarizability
14.339682
Polar Surface Area
17.82
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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