Molecule

ID:46141

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₇BrClNO
Molecular Mass
376.75938
Exact Mass
375.09645417
Charge
0
InChI
InChI=1S/C17H26BrNO.ClH/c1-3-13(2)14-7-8-17(16(18)12-14)20-11-9-15-6-4-5-10-19-15;/h7-8,12-13,15,19H,3-6,9-11H2,1-2H3;1H
InChIKey
VHWCCEKBMPXABK-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccc(c(c1)Br)OCCC1CCCCN1)C.Cl
Isomeric Smiles
c1(cc(ccc1OCCC1NCCCC1)C(CC)C)Br.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6540598
LogD (pH = 7.4)
2.2469625
Log P
4.8795943
Molar Refractivity
88.3378
Polarizability
34.663277
Polar Surface Area
21.26
Rotatable Bonds
6
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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