Molecule

ID:4340

General Information
Structure
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Molecular Formula
C₂₂H₁₈N₂
Molecular Mass
310.39172
Exact Mass
310.14699859
Charge
0
InChI
InChI=1S/C22H18N2/c1-3-7-18(8-4-1)19-11-13-21(14-12-19)22(24-16-15-23-17-24)20-9-5-2-6-10-20/h1-17,22H
InChIKey
OCAPBUJLXMYKEJ-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)c1ccc(cc1)C(n1ccnc1)c1ccccc1
Isomeric Smiles
n1(C(c2ccc(cc2)c2ccccc2)c2ccccc2)ccnc1
Calculated Properties
JChem
LogD (pH = 7.4)
5.21
LogD (pH = 5.5)
4.77
Log P
5.23
Rotatable Bonds
4
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
false
Acid pKa
6.36
Polar Surface Area
17.82
Polarizability
35.41
Molar Refractivity
97.94
LOG S
-5.59
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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