Molecule

ID:46191

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃Cl₂NO
Molecular Mass
304.25522
Exact Mass
303.11566972
Charge
0
InChI
InChI=1S/C15H22ClNO.ClH/c1-11-9-12(2)15(14(16)10-11)18-8-5-13-3-6-17-7-4-13;/h9-10,13,17H,3-8H2,1-2H3;1H
InChIKey
YHXGTHNBOSJZQC-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c(c(c1)Cl)OCCC1CCNCC1.Cl
Isomeric Smiles
c1(c(c(cc(c1)C)C)OCCC1CCNCC1)Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.68585014
LogD (pH = 7.4)
1.14224
Log P
3.917436
Molar Refractivity
77.0608
Polarizability
30.104204
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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