Molecule

ID:31084

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂
Molecular Mass
190.28472
Exact Mass
190.14699859
Charge
0
InChI
InChI=1S/C12H18N2/c13-12-7-3-2-6-11(12)10-14-8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-10,13H2
InChIKey
ZNEGRJJRCWMFPZ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1CN1CCCCC1
Isomeric Smiles
c1(CN2CCCCC2)c(N)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3791311
LogD (pH = 7.4)
0.06798984
Log P
1.9360827
Molar Refractivity
61.4431
Polarizability
23.348972
Polar Surface Area
29.26
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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