Molecule

ID:83333

General Information
Structure
MolImage
Molecular Formula
C₂₉H₃₀BrN
Molecular Mass
472.4592
Exact Mass
471.15616197
Charge
0
InChI
InChI=1S/C29H30N.BrH/c1-2-30-20-18-28(19-21-30)29(22-25-12-6-3-7-13-25,23-26-14-8-4-9-15-26)24-27-16-10-5-11-17-27;/h3-21H,2,22-24H2,1H3;1H/q+1;/p-1
InChIKey
MPZWWDMTPNEZIE-UHFFFAOYSA-M
Canonic Smiles
CC[n+]1ccc(cc1)C(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1.[Br-]
Isomeric Smiles
[n+]1(ccc(cc1)C(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1)CC.[Br-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.4491873
LogD (pH = 7.4)
3.4491873
Log P
3.4491873
Molar Refractivity
127.559
Polarizability
49.29361
Polar Surface Area
3.88
Rotatable Bonds
8
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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