Molecule

ID:31013

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂
Molecular Mass
190.28472
Exact Mass
190.14699859
Charge
0
InChI
InChI=1S/C12H18N2/c1-10-5-4-8-14(9-10)12-7-3-2-6-11(12)13/h2-3,6-7,10H,4-5,8-9,13H2,1H3
InChIKey
ODFNRXOCZNMLRU-UHFFFAOYSA-N
Canonic Smiles
CC1CCCN(C1)c1ccccc1N
Isomeric Smiles
N1(c2c(N)cccc2)CC(CCC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.2274876
LogD (pH = 7.4)
2.4636793
Log P
2.4677026
Molar Refractivity
61.8006
Polarizability
22.951065
Polar Surface Area
29.26
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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