Molecule

ID:20056

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₄ClNO
Molecular Mass
295.76286
Exact Mass
295.07639175
Charge
0
InChI
InChI=1S/C18H14ClNO/c19-16-12-14(20)10-11-18(16)21-17-9-5-4-8-15(17)13-6-2-1-3-7-13/h1-12H,20H2
InChIKey
KQNNISQQBLRJBM-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)Cl)Oc1ccccc1c1ccccc1
Isomeric Smiles
O(c1c(c2ccccc2)cccc1)c1c(cc(N)cc1)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.888397
LogD (pH = 7.4)
4.895782
Log P
4.895877
Molar Refractivity
86.9402
Polarizability
34.68467
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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