Molecule

ID:47272

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₀ClNO
Molecular Mass
311.8899
Exact Mass
311.20159227
Charge
0
InChI
InChI=1S/C18H29NO.ClH/c1-17(2,3)13-18(4,5)14-6-8-15(9-7-14)20-16-10-11-19-12-16;/h6-9,16,19H,10-13H2,1-5H3;1H
InChIKey
LPUAUXASNXZPMT-UHFFFAOYSA-N
Canonic Smiles
CC(CC(c1ccc(cc1)OC1CCNC1)(C)C)(C)C.Cl
Isomeric Smiles
C(c1ccc(OC2CCNC2)cc1)(CC(C)(C)C)(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1899397
LogD (pH = 7.4)
1.6695167
Log P
4.420633
Molar Refractivity
84.7038
Polarizability
33.86528
Polar Surface Area
21.26
Rotatable Bonds
5
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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