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Chemical ID: 5253665
Chemical ID:
5253665
Name [?]:
2-[4-[4-(carboxymethylamino)phenyl]sulfonylphenyl]aminoacetic acid
SMILES [?]:
c1cc(ccc1NCC(=O)O)S(=O)(=O)c2ccc(cc2)NCC(=O)O
InChi [?]:
InChI=1/C16H16N2O6S/c19-15(20)9-17-11-1-5-13(6-2-11)25(23,24)14-7-3-12(4-8-14)18-10-16(21)22/h1-8,17-18H,9-10H2,(H,19,20)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,5,17,19,2,4,16,20,8,22,6,18,3,15,9,23,7,21,10,11,24,25,13,14,12/E:(1,2,3,4)(5,6,7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20,21,22)(23,24)/gE:(1,2)/CRV:25.6/rA:25nCCCCCCNCCOOSOOCCCCCCNCCOO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s3;d12;d12;s12;s15;d16;s17;d18;d15s19;s18;s21;s22;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16N2O6S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.67105 |
Area: | 584.251 |
Solvation: | -4.93524 |
Coulombic: | -80.7496 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 364.374 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 8 |
XLogP: | 0.63 |
LogP (Chemaxon): | 1.1 |
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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