Molecule

ID:80258

General Information
Structure
Molecular Formula
C₂₆H₃₀Cl₂N₂
Molecular Mass
441.4358
Exact Mass
440.17860433
Charge
0
InChI
InChI=1S/C26H30N2.2ClH/c1-25(2)19-13-7-9-15-21(19)27(5)23(25)17-11-12-18-24-26(3,4)20-14-8-10-16-22(20)28(24)6;;/h7-18H,1-6H3;2*1H/q+2;;/p-2
InChIKey
LTDWJTWBFAGLGG-UHFFFAOYSA-L
Canonic Smiles
C[N+]1=C(/C=C/C=C/C2=[N+](C)c3c(C2(C)C)cccc3)C(c2c1cccc2)(C)C.[Cl-].[Cl-]
Isomeric Smiles
[N+]1(=C(C(c2ccccc12)(C)C)/C=C/C=C/C1=[N+](c2c(cccc2)C1(C)C)C)C.[Cl-].[Cl-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
0.47076815
LogD (pH = 7.4)
0.47076815
Log P
0.47076815
Molar Refractivity
143.1926
Polarizability
45.815155
Polar Surface Area
6.02
Rotatable Bonds
3
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
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References
Bioactivity
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