Molecule

ID:103507

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉ClN₂O
Molecular Mass
302.79856
Exact Mass
302.11859092
Charge
0
InChI
InChI=1S/C17H19N2O.ClH/c1-18(2)14-7-5-12-9-13-6-8-15(19(3)4)11-17(13)20-16(12)10-14;/h5-11H,1-4H3;1H/q+1;/p-1
InChIKey
INCIMLINXXICKS-UHFFFAOYSA-M
Canonic Smiles
CN(c1ccc2c(c1)oc1c(c2)ccc(=[N+](C)C)c1)C.[Cl-]
Isomeric Smiles
[Cl-].CN(C)c1cc2c(cc1)cc1ccc(=[N+](C)C)cc1o2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.95177394
LogD (pH = 7.4)
-0.9463741
Log P
-0.94630486
Molar Refractivity
98.1168
Polarizability
31.326675
Polar Surface Area
15.48
Rotatable Bonds
1
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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