Molecule

ID:19941

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄ClNO
Molecular Mass
283.75216
Exact Mass
283.07639175
Charge
0
InChI
InChI=1S/C17H14ClNO/c1-11-6-8-15(19)17(10-11)20-16-9-7-14(18)12-4-2-3-5-13(12)16/h2-10H,19H2,1H3
InChIKey
BGCHOIBEUUFJLF-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)Oc1ccc(c2c1cccc2)Cl)N
Isomeric Smiles
c1(Oc2c(ccc(c2)C)N)c2c(c(cc1)Cl)cccc2
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.7485046
LogD (pH = 7.4)
4.7515116
Log P
4.7515497
Molar Refractivity
83.2954
Polarizability
32.974525
Polar Surface Area
35.25
Rotatable Bonds
2
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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