Molecule

ID:16169

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClNO
Molecular Mass
199.67726
Exact Mass
199.07639175
Charge
0
InChI
InChI=1S/C10H13NO.ClH/c1-8(2)7-12-10-5-3-4-9(11)6-10;/h3-6H,1,7,11H2,2H3;1H
InChIKey
PQRNAVUSYZYYIH-UHFFFAOYSA-N
Canonic Smiles
CC(=C)COc1cccc(c1)N.Cl
Isomeric Smiles
C(=C)(COc1cc(N)ccc1)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9465362
LogD (pH = 7.4)
1.9610711
Log P
1.9612597
Molar Refractivity
50.6663
Polarizability
19.28346
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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