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Chemical ID: 7117027
Chemical ID:
7117027
Name [?]:
4-chloro-2-(2-furylmethylamino)-5-sulfamoyl-benzoate
SMILES [?]:
c1cc(oc1)CNc2cc(c(cc2C(=O)[O-])S(=O)(=O)N)Cl
InChi [?]:
InChI=1/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,5,12,9,6,3,13,10,8,11,14,21,20,7,15,16,18,19,4,17/E:(16,17)(18,19)/CRV:21.6/rA:21nCCCOCCNCCCCCCCOO-SOONCl/rB:s1;d2;s3;d1s4;s3;s6;s7;s8;d9;s10;d11;d8s12;s13;d14;s14;s11;d17;d17;s17;s10;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H10ClN2O5S- |
All Atoms: | 31 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -31.3848 |
Area: | 490.284 |
Solvation: | -43.6419 |
Coulombic: | -35.1107 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 329.737 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 0.93 |
LogP (Chemaxon): | 1.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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