Molecule

ID:119583

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₆N₂O₂
Molecular Mass
326.43264
Exact Mass
326.19942808
Charge
0
InChI
InChI=1S/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3/t10-,11-,14?,15-,16+,17-,18?,19+,20+/m0/s1
InChIKey
CJDRUOGAGYHKKD-UDBMRWGKSA-N
Canonic Smiles
CC[C@H]1[C@@H]2CC3N([C@@H]1O)[C@@H]1[C@@H]2C(O)[C@]2([C@H]3N(C)c3c2cccc3)C1
Isomeric Smiles
[C@@]123[C@@H](N(c4c2cccc4)C)C2N4[C@H]([C@H](C1O)[C@H]([C@@H]([C@H]4O)CC)C2)C3
Calculated Properties
JChem
Acid pKa
13.280155
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.1535305
LogD (pH = 7.4)
1.6402448
Log P
1.8508078
Molar Refractivity
92.5658
Polarizability
36.288525
Polar Surface Area
46.94
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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