Molecule

ID:35218

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₂
Molecular Mass
212.29024
Exact Mass
212.13134852
Charge
0
InChI
InChI=1S/C14H16N2/c1-2-5-12(6-3-1)11-13-14-7-4-9-16(14)10-8-15-13/h1-7,9,13,15H,8,10-11H2
InChIKey
LHCUTESRDMXEBA-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)CC1NCCn2c1ccc2
Isomeric Smiles
c12n(ccc2)CCNC1Cc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.12624875
LogD (pH = 7.4)
1.5563663
Log P
2.6565323
Molar Refractivity
65.9078
Polarizability
25.675333
Polar Surface Area
16.96
Rotatable Bonds
2
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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