Molecule

ID:47009

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₅Cl₂NO
Molecular Mass
318.2818
Exact Mass
317.13131979
Charge
0
InChI
InChI=1S/C16H24ClNO.ClH/c1-16(2,3)14-10-13(17)4-5-15(14)19-11-12-6-8-18-9-7-12;/h4-5,10,12,18H,6-9,11H2,1-3H3;1H
InChIKey
AYHYUFRZBIFUOW-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)C(C)(C)C)OCC1CCNCC1.Cl
Isomeric Smiles
c1(C(C)(C)C)c(OCC2CCNCC2)ccc(c1)Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.8376136
LogD (pH = 7.4)
1.2983843
Log P
4.0690346
Molar Refractivity
80.9663
Polarizability
31.996326
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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