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Chemical ID: 7703634
Chemical ID:
7703634
Name [?]:
None
SMILES [?]:
CCOc1cc(ccc1C(=O)Nc2cc(cc(c2)C(=O)O)C(=O)O)Cl
InChi [?]:
InChI=1/C17H14ClNO6/c1-2-25-14-8-11(18)3-4-13(14)15(20)19-12-6-9(16(21)22)5-10(7-12)17(23)24/h3-8H,2H2,1H3,(H,19,20)(H,21,22)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,7,8,16,14,18,5,15,17,6,13,9,4,10,22,19,25,12,11,23,24,20,21,3/E:(6,7)(9,10)(16,17)(21,22,23,24)/gE:(2,3)/rA:25nCCOCCCCCCCONCCCCCCCOOCOOCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;d19;s19;s15;d22;s22;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14ClNO6 |
All Atoms: | 39 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.85632 |
Area: | 574.29 |
Solvation: | -5.50094 |
Coulombic: | -81.6419 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.18 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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