Molecule

ID:129318

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₅IN₂O
Molecular Mass
424.31907
Exact Mass
424.10116143
Charge
0
InChI
InChI=1S/C19H25IN2O/c1-21-15-8-9-17(21)18(19(23)22-10-2-3-11-22)16(12-15)13-4-6-14(20)7-5-13/h4-7,15-18H,2-3,8-12H2,1H3/t15-,16+,17+,18-/m0/s1
InChIKey
HPQILAIJSLHQQC-MLHJIOFPSA-N
Canonic Smiles
Ic1ccc(cc1)[C@H]1C[C@@H]2CC[C@H]([C@@H]1C(=O)N1CCCC1)N2C
Isomeric Smiles
CN1[C@H]2CC[C@@H]1[C@@H]([C@H](C2)c1ccc(cc1)I)C(=O)N1CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.062437788
LogD (pH = 7.4)
1.1631249
Log P
3.3404937
Molar Refractivity
102.2601
Polarizability
39.82111
Polar Surface Area
23.55
Rotatable Bonds
2
Lipinski's Rule of Five
true
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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