Molecule

ID:46905

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)13-7-8-16(15(11-13)18(4,5)6)20-14-9-10-19-12-14;/h7-8,11,14,19H,9-10,12H2,1-6H3;1H
InChIKey
GEYASWZHWOQZIA-UHFFFAOYSA-N
Canonic Smiles
CC(c1cc(ccc1OC1CNCC1)C(C)(C)C)(C)C.Cl
Isomeric Smiles
c1(c(OC2CCNC2)ccc(c1)C(C)(C)C)C(C)(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2586429
LogD (pH = 7.4)
1.7344233
Log P
4.4894857
Molar Refractivity
85.144
Polarizability
33.7838
Polar Surface Area
21.26
Rotatable Bonds
4
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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