Molecule

ID:129282

General Information
Structure
Molecular Formula
C₁₂H₁₆N₂
Molecular Mass
188.26884
Exact Mass
188.13134852
Charge
0
InChI
InChI=1S/C12H16N2/c1-2-11(9-13-5-1)12-8-10-3-6-14(12)7-4-10/h1-2,5,9-10,12H,3-4,6-8H2
InChIKey
YJYPZLAZNIGNRP-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cn1)C1CC2CCN1CC2
Isomeric Smiles
c1(C2N3CCC(CC3)C2)cnccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.644592
LogD (pH = 7.4)
0.048001636
Log P
1.4205896
Molar Refractivity
57.073
Polarizability
22.403004
Polar Surface Area
16.13
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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