Molecule

ID:46188

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₀ClNO
Molecular Mass
311.8899
Exact Mass
311.20159227
Charge
0
InChI
InChI=1S/C18H29NO.ClH/c1-14-12-16(18(2,3)4)7-8-17(14)20-11-9-15-6-5-10-19-13-15;/h7-8,12,15,19H,5-6,9-11,13H2,1-4H3;1H
InChIKey
BNSIXGXIADDYDK-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(ccc1OCCC1CCCNC1)C(C)(C)C.Cl
Isomeric Smiles
c1(cc(c(cc1)OCCC1CNCCC1)C)C(C)(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1886576
LogD (pH = 7.4)
1.5647078
Log P
4.42298
Molar Refractivity
85.8037
Polarizability
33.78652
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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