Molecule

ID:19694

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₄ClNO
Molecular Mass
295.76286
Exact Mass
295.07639175
Charge
0
InChI
InChI=1S/C18H14ClNO/c19-15-8-11-18(17(20)12-15)21-16-9-6-14(7-10-16)13-4-2-1-3-5-13/h1-12H,20H2
InChIKey
YSYLSRIOOJRRPV-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)N)Oc1ccc(cc1)c1ccccc1
Isomeric Smiles
c1(c(cc(cc1)Cl)N)Oc1ccc(c2ccccc2)cc1
Calculated Properties
JChem
Acid pKa
19.758142
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.895585
LogD (pH = 7.4)
4.8958735
Log P
4.895877
Molar Refractivity
86.9402
Polarizability
34.65215
Polar Surface Area
35.25
Rotatable Bonds
3
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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