Molecule

ID:85127

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₉ClN₂O
Molecular Mass
326.81996
Exact Mass
326.11859092
Charge
0
InChI
InChI=1S/C19H19ClN2O/c20-12-6-7-13-22-17-11-5-4-10-16(17)19(21-14-18(22)23)15-8-2-1-3-9-15/h1-5,8-11H,6-7,12-14H2
InChIKey
IRUIPIJEQFRUJD-UHFFFAOYSA-N
Canonic Smiles
ClCCCCN1C(=O)CN=C(c2c1cccc2)c1ccccc1
Isomeric Smiles
N1(c2ccccc2C(=NCC1=O)c1ccccc1)CCCCCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7104383
LogD (pH = 7.4)
3.713811
Log P
3.713854
Molar Refractivity
93.8604
Polarizability
35.79693
Polar Surface Area
32.67
Rotatable Bonds
5
Lipinski's Rule of Five
true
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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