Molecule

ID:79958

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀ClNO
Molecular Mass
207.6562
Exact Mass
207.04509163
Charge
0
InChI
InChI=1S/C11H10ClNO/c1-7-3-4-10-8(5-7)9(12)6-11(13-10)14-2/h3-6H,1-2H3
InChIKey
IAGRNQIIOSWFLD-UHFFFAOYSA-N
Canonic Smiles
COc1cc(Cl)c2c(n1)ccc(c2)C
Isomeric Smiles
n1c(cc(c2cc(ccc12)C)Cl)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.6851113
LogD (pH = 7.4)
3.6851523
Log P
3.6851528
Molar Refractivity
56.602
Polarizability
23.104065
Polar Surface Area
22.12
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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