Molecule

ID:105673

General Information
Structure
MolImage
Molecular Formula
C₂₄H₃₆N₄O₆
Molecular Mass
476.56584
Exact Mass
476.26348489
Charge
0
InChI
InChI=1S/2C10H16N2O.C4H4O4/c2*1-2-7(1)9(8-3-4-8)12-10-11-5-6-13-10;5-3(6)1-2-4(7)8/h2*7-9H,1-6H2,(H,11,12);1-2H,(H,5,6)(H,7,8)
InChIKey
LZFATBMLSYHRTC-UHFFFAOYSA-N
Canonic Smiles
C1CN=C(O1)NC(C1CC1)C1CC1.C1CN=C(O1)NC(C1CC1)C1CC1.OC(=O)/C=C/C(=O)O
Isomeric Smiles
OC(=O)/C=C/C(=O)O.C1CN=C(NC(C2CC2)C2CC2)O1.C1CN=C(NC(C2CC2)C2CC2)O1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.022771738
LogD (pH = 7.4)
1.3989831
Log P
1.5764464
Molar Refractivity
49.7941
Polarizability
19.522322
Polar Surface Area
33.62
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation