Molecule

ID:1284

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆N₂
Molecular Mass
188.26884
Exact Mass
188.13134852
Charge
0
InChI
InChI=1S/C12H16N2/c1-14(2)8-7-10-9-13-12-6-4-3-5-11(10)12/h3-6,9,13H,7-8H2,1-2H3
InChIKey
DMULVCHRPCFFGV-UHFFFAOYSA-N
Canonic Smiles
CN(CCc1c[nH]c2c1cccc2)C
Isomeric Smiles
N(CCc1c2c([nH]c1)cccc2)(C)C
Calculated Properties
JChem
LogD (pH = 7.4)
0.03
LogD (pH = 5.5)
-1.12
Log P
2.30
Rotatable Bonds
3
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
9.70
Polar Surface Area
19.03
Polarizability
22.42
Molar Refractivity
60.44
LOG S
-2.00
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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