Molecule

ID:17609

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂N₂
Molecular Mass
124.18358
Exact Mass
124.10004839
Charge
0
InChI
InChI=1S/C7H12N2/c1-8-6-7-4-3-5-9(7)2/h3-5,8H,6H2,1-2H3
InChIKey
YEMKVBRHRNHHGE-UHFFFAOYSA-N
Canonic Smiles
CNCc1cccn1C
Isomeric Smiles
c1(n(ccc1)C)CNC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.3490274
LogD (pH = 7.4)
-1.0071374
Log P
0.7551559
Molar Refractivity
38.839
Polarizability
15.015824
Polar Surface Area
16.96
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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