Chemical ID: 5012021

Cc1ccc(c(c1)S(=O)(=O)O)Nc2ccc3c4c2C(=O)c5ccccc5-c4cc(=O)n3C
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue