Molecule

ID:34953

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂
Molecular Mass
190.28472
Exact Mass
190.14699859
Charge
0
InChI
InChI=1S/C12H18N2/c1-2-11-5-3-4-6-12(11)14-9-7-13-8-10-14/h3-6,13H,2,7-10H2,1H3
InChIKey
LMQFWBCKQMNEEH-UHFFFAOYSA-N
Canonic Smiles
CCc1ccccc1N1CCNCC1
Isomeric Smiles
N1(c2c(CC)cccc2)CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.50685006
LogD (pH = 7.4)
1.0041189
Log P
2.5033514
Molar Refractivity
60.8842
Polarizability
23.270523
Polar Surface Area
15.27
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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