Molecule

ID:82107

General Information
Structure
MolImage
Molecular Formula
C₃₅H₃₄IN₂OP
Molecular Mass
656.535491
Exact Mass
656.14534835
Charge
0
InChI
InChI=1S/C35H34N2OP.HI/c1-2-16-28-37(27-15-1)35-34(36-33(38-35)26-25-29-17-7-3-8-18-29)39(30-19-9-4-10-20-30,31-21-11-5-12-22-31)32-23-13-6-14-24-32;/h3-14,17-26H,1-2,15-16,27-28H2;1H/q+1;/p-1
InChIKey
HCMDPZKCUIADOX-UHFFFAOYSA-M
Canonic Smiles
c1ccc(cc1)/C=C/c1oc(c(n1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)N1CCCCCC1.[I-]
Isomeric Smiles
n1c(/C=C/c2ccccc2)oc(c1[P+](c1ccccc1)(c1ccccc1)c1ccccc1)N1CCCCCC1.[I-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
8.6720085
LogD (pH = 7.4)
8.6720085
Log P
8.6720085
Molar Refractivity
163.4019
Polarizability
62.756878
Polar Surface Area
29.27
Rotatable Bonds
7
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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