Molecule

ID:12949

General Information
Structure
Molecular Formula
C₁₁H₁₈ClNO
Molecular Mass
215.71972
Exact Mass
215.10769188
Charge
0
InChI
InChI=1S/C11H17NO.ClH/c1-7(2)9-6-10(12)8(3)5-11(9)13-4;/h5-7H,12H2,1-4H3;1H
InChIKey
FQMDGRJHBVBUTR-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C)c(cc1C(C)C)N.Cl
Isomeric Smiles
c1(c(cc(c(c1)N)C)OC)C(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.5759654
LogD (pH = 7.4)
2.742477
Log P
2.745079
Molar Refractivity
56.4536
Polarizability
21.205214
Polar Surface Area
35.25
Rotatable Bonds
2
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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