Molecule

ID:1923

General Information
Structure
MolImage
Molecular Formula
C₂₇H₃₄N₄++
Molecular Mass
414.58566
Exact Mass
414.27834711
Charge
2
InChI
InChI=1S/C27H33N4/c1-4-31(3,5-2)17-9-16-30-26-19-22(29)13-15-24(26)23-14-12-21(28)18-25(23)27(30)20-10-7-6-8-11-20/h6-8,10-15,18-19,29H,4-5,9,16-17,28H2,1-3H3/q+1/p+1
InChIKey
ZDWVWKDAWBGPDN-UHFFFAOYSA-O
Canonic Smiles
CC[N+](CCC[n+]1c(c2ccccc2)c2cc(N)ccc2c2c1cc(N)cc2)(CC)C
Isomeric Smiles
CC[N+](C)(CC)CCC[n+]1c(c2ccccc2)c2c(ccc(N)c2)c2c1cc(N)cc2
Calculated Properties
JChem
LogD (pH = 7.4)
-4.64
LogD (pH = 5.5)
-4.64
Log P
-4.64
Rotatable Bonds
7
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
3.48
Polar Surface Area
55.92
Polarizability
49.36
Molar Refractivity
145.54
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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