Molecule

ID:450

General Information
Structure
MolImage
Molecular Formula
C₂₆H₂₈N₂
Molecular Mass
368.51392
Exact Mass
368.22524891
Charge
0
InChI
InChI=1S/C26H28N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-17,26H,18-22H2
InChIKey
DERZBLKQOCDDDZ-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)C=CCN1CCN(CC1)C(c1ccccc1)c1ccccc1
Isomeric Smiles
N1(CCN(CC1)CC=Cc1ccccc1)C(c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0775893
LogD (pH = 7.4)
4.841679
Log P
5.880391
Molar Refractivity
119.8648
Polarizability
46.581047
Polar Surface Area
6.48
Rotatable Bonds
6
Lipinski's Rule of Five
false
ALOGPS 2.1
Log P
5.19
LOG S
-5.33
Solubility (Water)
1.72e-03 g/l
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
No Data Available
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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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