Molecule

ID:129317

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₆N₂O
Molecular Mass
358.47604
Exact Mass
358.20451346
Charge
0
InChI
InChI=1S/C24H26N2O/c1-16-8-10-18(11-9-16)21-15-23(27-25-21)24-20(17-6-4-3-5-7-17)14-19-12-13-22(24)26(19)2/h3-11,15,19-20,22,24H,12-14H2,1-2H3/t19-,20+,22+,24-/m0/s1
InChIKey
JXWXKPFVTJWLMV-IKJKNFHUSA-N
Canonic Smiles
CN1[C@H]2CC[C@@H]1[C@@H]([C@H](C2)c1ccccc1)c1onc(c1)c1ccc(cc1)C
Isomeric Smiles
Cc1ccc(cc1)c1noc(c1)[C@H]1[C@H]2CC[C@H](N2C)C[C@@H]1c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7849333
LogD (pH = 7.4)
2.9535773
Log P
5.20216
Molar Refractivity
109.4018
Polarizability
43.34196
Polar Surface Area
29.27
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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