Molecule

ID:46661

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₀ClNO
Molecular Mass
311.8899
Exact Mass
311.20159227
Charge
0
InChI
InChI=1S/C18H29NO.ClH/c1-4-18(2,3)15-8-10-17(11-9-15)20-14-12-16-7-5-6-13-19-16;/h8-11,16,19H,4-7,12-14H2,1-3H3;1H
InChIKey
AARFSZYKFUPBQN-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccc(cc1)OCCC1CCCCN1)(C)C.Cl
Isomeric Smiles
C(c1ccc(cc1)OCCC1NCCCC1)(CC)(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1853542
LogD (pH = 7.4)
1.7782568
Log P
4.410889
Molar Refractivity
85.1901
Polarizability
33.865562
Polar Surface Area
21.26
Rotatable Bonds
6
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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