Molecule

ID:87205

General Information
Structure
Molecular Formula
C₁₄H₁₆N₂
Molecular Mass
212.29024
Exact Mass
212.13134852
Charge
0
InChI
InChI=1S/C14H16N2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-14H,15-16H2
InChIKey
PONXTPCRRASWKW-UHFFFAOYSA-N
Canonic Smiles
NC(C(c1ccccc1)N)c1ccccc1
Isomeric Smiles
NC(c1ccccc1)C(c1ccccc1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.8482778
LogD (pH = 7.4)
0.31417987
Log P
2.1460378
Molar Refractivity
66.4342
Polarizability
26.751324
Polar Surface Area
52.04
Rotatable Bonds
3
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
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References
Bioactivity
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