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Chemical ID: 7427773
Chemical ID:
7427773
Name [?]:
2-(2-hydroxyphenyl)-7-(m-tolyl)-6,8-dioxo-3,7-diazabicyclo[3.3.0]octane-4-carboxylic acid
SMILES [?]:
Cc1cccc(c1)N2C(=O)C3C(NC(C3C2=O)C(=O)O)c4ccccc4O
InChi [?]:
InChI=1/C20H18N2O5/c1-10-5-4-6-11(9-10)22-18(24)14-15(19(22)25)17(20(26)27)21-16(14)12-7-2-3-8-13(12)23/h2-9,14-17,21,23H,1H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,23,24,4,3,5,22,25,7,2,6,21,26,11,15,12,14,9,16,18,13,8,27,10,17,19,20/E:(26,27)/rA:27cCCCCCCCNCOCCNCCCOCOOCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;s11s14;s8s15;d16;s14;d18;s18;s12;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18N2O5 |
All Atoms: | 45 |
Heavy Atoms: | 27 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 7.84925 |
Area: | 540.767 |
Solvation: | -5.66994 |
Coulombic: | -73.4522 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 366.367 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | 1.21 |
LogP (Chemaxon): | -0.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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