Molecule

ID:88515

General Information
Structure
Molecular Formula
C₁₀H₁₄ClNO
Molecular Mass
199.67726
Exact Mass
199.07639175
Charge
0
InChI
InChI=1S/C10H13NO.ClH/c1-8-2-4-9(5-3-8)10(11)6-12-7-10;/h2-5H,6-7,11H2,1H3;1H
InChIKey
UKNASRDBASHMNC-UHFFFAOYSA-N
Canonic Smiles
NC1(COC1)c1ccc(cc1)C.Cl
Isomeric Smiles
O1CC(c2ccc(cc2)C)(C1)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2601267
LogD (pH = 7.4)
0.37588143
Log P
1.377471
Molar Refractivity
48.2069
Polarizability
19.111328
Polar Surface Area
35.25
Rotatable Bonds
1
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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