Molecule

ID:1326

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀N₂
Molecular Mass
192.3006
Exact Mass
192.16264865
Charge
0
InChI
InChI=1S/C12H20N2/c13-11-12(7-3-1-4-8-12)14-9-5-2-6-10-14/h1-10H2
InChIKey
WWSAYKJWUZJLRT-UHFFFAOYSA-N
Canonic Smiles
N#CC1(CCCCC1)N1CCCCC1
Isomeric Smiles
N1(C2(CCCCC2)C#N)CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1156094
LogD (pH = 7.4)
2.4645028
Log P
2.6038854
Molar Refractivity
58.248
Polarizability
22.74905
Polar Surface Area
27.03
Rotatable Bonds
1
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
2.73
LOG S
-2.57
Solubility (Water)
5.22e-01 g/l
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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