Molecule

ID:103622

General Information
Structure
MolImage
Molecular Formula
C₂₇H₃₁IN₂
Molecular Mass
510.45291
Exact Mass
510.153197
Charge
0
InChI
InChI=1S/C27H31N2.HI/c1-26(2)20-14-10-12-16-22(20)28(5)24(26)18-8-7-9-19-25-27(3,4)21-15-11-13-17-23(21)29(25)6;/h7-19H,1-6H3;1H/q+1;/p-1
InChIKey
UANMYOBKUNUUTR-UHFFFAOYSA-M
Canonic Smiles
CN1c2ccccc2C(/C/1=C/C=C/C=C/C1=[N+](C)c2c(C1(C)C)cccc2)(C)C.[I-]
Isomeric Smiles
CN1c2ccccc2C(C)(C)/C/1=C/C=C/C=C/C1=[N+](C)c2ccccc2C1(C)C.[I-]
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.557041
LogD (pH = 7.4)
3.5571592
Log P
3.5571609
Molar Refractivity
139.5149
Polarizability
47.593052
Polar Surface Area
6.25
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
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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