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Chemical ID: 6440803
Chemical ID:
6440803
Name [?]:
None
SMILES [?]:
c1ccc(cc1)OS(=O)(=O)c2ccc3c4c2cccc4C(=O)N3
InChi [?]:
InChI=1/C17H11NO4S/c19-17-13-8-4-7-12-15(10-9-14(18-17)16(12)13)23(20,21)22-11-5-2-1-3-6-11/h1-10H,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,18,3,5,17,19,13,12,4,16,20,14,11,15,21,23,22,9,10,7,8/E:(2,3)(5,6)(20,21)/CRV:23.6/rA:23nCCCCCCOSOOCCCCCCCCCCCON/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;d8;s8;s11;d12;s13;d14;d11s15;s16;d17;s18;s15d19;s20;d21;s14s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H11NO4S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.77936 |
Area: | 457.829 |
Solvation: | -2.66636 |
Coulombic: | -31.2354 |
Bond Count [?]
All: | 26 |
Single: | 15 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 325.34 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.2 |
LogP (Chemaxon): | 3.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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