Molecule

ID:125702

General Information
Structure
MolImage
Molecular Formula
C₂₆H₃₉ClN₂O₄
Molecular Mass
479.05186
Exact Mass
478.25983542
Charge
0
InChI
InChI=1S/C26H38N2O4.ClH/c1-3-13-27(20-16-21-22(31-2)9-8-10-23(21)32-19-20)14-6-7-15-28-24(29)17-26(18-25(28)30)11-4-5-12-26;/h8-10,20H,3-7,11-19H2,1-2H3;1H/t20-;/m0./s1
InChIKey
QYFHCFNBYQZGKW-BDQAORGHSA-N
Canonic Smiles
CCCN([C@@H]1COc2c(C1)c(OC)ccc2)CCCCN1C(=O)CC2(CC1=O)CCCC2.Cl
Isomeric Smiles
Cl.O=C1N(C(=O)CC2(C1)CCCC2)CCCCN([C@H]1Cc2c(OC)cccc2OC1)CCC
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
0.5216668
LogD (pH = 7.4)
2.0892832
Log P
3.7485821
Molar Refractivity
124.9995
Polarizability
49.05791
Polar Surface Area
59.08
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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