Molecule

ID:55029

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇Cl₂NO
Molecular Mass
298.20758
Exact Mass
297.06871953
Charge
0
InChI
InChI=1S/C15H16ClNO.ClH/c16-14-6-7-15(18-9-8-17)13(11-14)10-12-4-2-1-3-5-12;/h1-7,11H,8-10,17H2;1H
InChIKey
BMTBQYDTCVRFER-UHFFFAOYSA-N
Canonic Smiles
NCCOc1ccc(cc1Cc1ccccc1)Cl.Cl
Isomeric Smiles
c1(c(ccc(c1)Cl)OCCN)Cc1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.75283265
LogD (pH = 7.4)
1.8584763
Log P
3.7144294
Molar Refractivity
75.013
Polarizability
29.433151
Polar Surface Area
35.25
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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