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Chemical ID: 5012021
Chemical ID:
5012021
Name [?]:
None
SMILES [?]:
Cc1ccc(c(c1)S(=O)(=O)O)Nc2ccc3c4c2C(=O)c5ccccc5-c4cc(=O)n3C
InChi [?]:
InChI=1/C24H18N2O5S/c1-13-7-8-17(20(11-13)32(29,30)31)25-18-9-10-19-22-16(12-21(27)26(19)2)14-5-3-4-6-15(14)24(28)23(18)22/h3-12,25H,1-2H3,(H,29,30,31)
InChi Info:
AuxInfo=1/1/N:1,32,24,23,25,22,3,4,14,15,7,28,2,26,21,27,5,13,16,6,29,17,18,19,12,31,30,20,9,10,11,8/E:(29,30,31)/CRV:32.6/rA:32nCCCCCCCSOOONCCCCCCCOCCCCCCCCCONC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;d8;s8;s5;s12;s13;d14;s15;d16;d13s17;s18;d19;s19;s21;d22;s23;d24;d21s25;s17s26;d27;s28;d29;s16s29;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H18N2O5S |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8842 |
Area: | 599.285 |
Solvation: | -4.09796 |
Coulombic: | -52.3713 |
Bond Count [?]
All: | 36 |
Single: | 22 |
Double: | 14 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 446.476 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.81 |
LogP (Chemaxon): | 4.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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