Molecule

ID:37828

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₂ClFN₂O₂
Molecular Mass
364.8415832
Exact Mass
364.13538385
Charge
0
InChI
InChI=1S/C19H21FN2O2.ClH/c1-14(23)22(12-15-2-5-18(20)6-3-15)13-16-4-7-19-17(10-16)11-21-8-9-24-19;/h2-7,10,21H,8-9,11-13H2,1H3;1H
InChIKey
CBRIMEDSDKXMRO-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)CN(C(=O)C)Cc1ccc2c(c1)CNCCO2.Cl
Isomeric Smiles
c1(ccc2c(c1)CNCCO2)CN(Cc1ccc(cc1)F)C(=O)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.7162188
LogD (pH = 7.4)
0.8572846
Log P
2.2378645
Molar Refractivity
91.4431
Polarizability
35.137196
Polar Surface Area
41.57
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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