Molecule

ID:5987

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄N₂
Molecular Mass
234.29576
Exact Mass
234.11569846
Charge
0
InChI
InChI=1S/C16H14N2/c1-2-4-15(5-3-1)16-8-6-14(7-9-16)12-18-11-10-17-13-18/h1-11,13H,12H2
InChIKey
DLYMRVCQTVOYEW-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)c1ccc(cc1)Cn1ccnc1
Isomeric Smiles
c1ccccc1c1ccc(cc1)Cn1ccnc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9219868
LogD (pH = 7.4)
3.386586
Log P
3.4501503
Molar Refractivity
73.6583
Polarizability
29.575266
Polar Surface Area
17.82
Rotatable Bonds
3
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
3.38
LOG S
-3.74
Solubility (Water)
4.31e-02 g/l
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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