Molecule

ID:46998

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₇BrClNO
Molecular Mass
376.75938
Exact Mass
375.09645417
Charge
0
InChI
InChI=1S/C17H26BrNO.ClH/c1-4-17(2,3)14-7-8-16(15(18)10-14)20-12-13-6-5-9-19-11-13;/h7-8,10,13,19H,4-6,9,11-12H2,1-3H3;1H
InChIKey
OXUBFCBLFHGLDU-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccc(c(c1)Br)OCC1CCCNC1)(C)C.Cl
Isomeric Smiles
c1(cc(c(OCC2CNCCC2)cc1)Br)C(CC)(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4979806
LogD (pH = 7.4)
2.1555681
Log P
4.7198677
Molar Refractivity
88.2865
Polarizability
34.66247
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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