Molecule

ID:46212

General Information
Structure
Molecular Formula
C₁₅H₂₃Cl₂NO
Molecular Mass
304.25522
Exact Mass
303.11566972
Charge
0
InChI
InChI=1S/C15H22ClNO.ClH/c1-2-12-5-6-15(14(16)10-12)18-9-7-13-4-3-8-17-11-13;/h5-6,10,13,17H,2-4,7-9,11H2,1H3;1H
InChIKey
ACSGLWDQWNDUJG-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(c(c1)Cl)OCCC1CCCNC1.Cl
Isomeric Smiles
c1(c(ccc(c1)CC)OCCC1CNCCC1)Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.6922147
LogD (pH = 7.4)
1.0682648
Log P
3.9265368
Molar Refractivity
76.5436
Polarizability
30.180246
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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