Molecule

ID:1396

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₀N₂
Molecular Mass
240.3434
Exact Mass
240.16264865
Charge
0
InChI
InChI=1S/C16H20N2/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16/h3-10,12,15H,11,13H2,1-2H3
InChIKey
IJHNSHDBIRRJRN-UHFFFAOYSA-N
Canonic Smiles
CN(CCC(c1ccccn1)c1ccccc1)C
Isomeric Smiles
N(CCC(c1ccccc1)c1ncccc1)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.4020406
LogD (pH = 7.4)
0.90866387
Log P
2.9809062
Molar Refractivity
76.0455
Polarizability
29.749453
Polar Surface Area
16.13
Rotatable Bonds
5
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
2.85
LOG S
-2.8
Solubility (Water)
3.77e-01 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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