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Chemical ID: 6397063
Chemical ID:
6397063
Name [?]:
2-(2-acetoxybenzoyl)aminobenzoic acid
SMILES [?]:
CC(=O)Oc1ccccc1C(=O)Nc2ccccc2C(=O)O
InChi [?]:
InChI=1/C16H13NO5/c1-10(18)22-14-9-5-3-7-12(14)15(19)17-13-8-4-2-6-11(13)16(20)21/h2-9H,1H3,(H,17,19)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,17,8,16,7,18,9,15,6,2,19,10,14,5,11,20,13,3,12,21,22,4/E:(20,21)/rA:22nCCOOCCCCCCCONCCCCCCCOO/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13NO5 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.75835 |
Area: | 477.364 |
Solvation: | -3.17574 |
Coulombic: | -67.3845 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 299.278 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.04 |
LogP (Chemaxon): | 2.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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