Molecule

ID:61693

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂N₂
Molecular Mass
124.18358
Exact Mass
124.10004839
Charge
0
InChI
InChI=1S/C7H12N2/c8-4-1-7-2-5-9-6-3-7/h7,9H,1-3,5-6H2
InChIKey
ZVTFIBQPABQXLK-UHFFFAOYSA-N
Canonic Smiles
N#CCC1CCNCC1
Isomeric Smiles
N#CCC1CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.104738
LogD (pH = 7.4)
-2.6466117
Log P
0.12678252
Molar Refractivity
36.6297
Polarizability
14.26212
Polar Surface Area
35.82
Rotatable Bonds
1
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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