Molecule

ID:56730

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₁ClO₂
Molecular Mass
316.82184
Exact Mass
316.12300759
Charge
0
InChI
InChI=1S/C19H21ClO2/c1-4-17(18(20)21)22-16-12-10-15(11-13-16)19(2,3)14-8-6-5-7-9-14/h5-13,17H,4H2,1-3H3
InChIKey
NNUGMPOMICYXKQ-UHFFFAOYSA-N
Canonic Smiles
CCC(C(=O)Cl)Oc1ccc(cc1)C(c1ccccc1)(C)C
Isomeric Smiles
C(c1ccc(OC(C(=O)Cl)CC)cc1)(c1ccccc1)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.5970345
LogD (pH = 7.4)
5.5970345
Log P
5.5970345
Molar Refractivity
100.7375
Polarizability
35.3373
Polar Surface Area
26.3
Rotatable Bonds
6
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
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References
Bioactivity
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