Molecule

ID:30893

General Information
Structure
Molecular Formula
C₁₂H₁₈N₂
Molecular Mass
190.28472
Exact Mass
190.14699859
Charge
0
InChI
InChI=1S/C12H18N2/c13-9-11-5-1-2-6-12(11)10-14-7-3-4-8-14/h1-2,5-6H,3-4,7-10,13H2
InChIKey
GKLJBOBCXOAAGF-UHFFFAOYSA-N
Canonic Smiles
NCc1ccccc1CN1CCCC1
Isomeric Smiles
N1(Cc2c(CN)cccc2)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.8941765
LogD (pH = 7.4)
-2.578131
Log P
1.4462085
Molar Refractivity
60.6151
Polarizability
23.74821
Polar Surface Area
29.26
Rotatable Bonds
3
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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