Molecule

ID:127286

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₂
Molecular Mass
212.29024
Exact Mass
212.13134852
Charge
0
InChI
InChI=1S/C14H16N2/c1-3-11-10-4-2-6-15-13(10)7-9-8-16-12(5-1)14(9)11/h1,3,5,8,10,13,15-16H,2,4,6-7H2/t10-,13-/m1/s1
InChIKey
RHGUXDUPXYFCTE-ZWNOBZJWSA-N
Canonic Smiles
C1CN[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3
Isomeric Smiles
c1c2c3c(cccc3[nH]1)[C@@H]1[C@H](NCCC1)C2
Calculated Properties
JChem
Acid pKa
17.35532
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
-0.874576
LogD (pH = 7.4)
-0.36023512
Log P
2.354682
Molar Refractivity
65.4683
Polarizability
26.576084
Polar Surface Area
27.82
Rotatable Bonds
0
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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