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Chemical ID: 7006928
Chemical ID:
7006928
Name [?]:
4-(2-acetoxybenzoyl)aminobenzoic acid
SMILES [?]:
CC(=O)Oc1ccccc1C(=O)Nc2ccc(cc2)C(=O)O
InChi [?]:
InChI=1/C16H13NO5/c1-10(18)22-14-5-3-2-4-13(14)15(19)17-12-8-6-11(7-9-12)16(20)21/h2-9H,1H3,(H,17,19)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,8,7,9,6,16,18,15,19,2,17,14,10,5,11,20,13,3,12,21,22,4/E:(6,7)(8,9)(20,21)/rA:22nCCOOCCCCCCCONCCCCCCCOO/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13NO5 |
All Atoms: | 35 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.72078 |
Area: | 496.061 |
Solvation: | -3.68073 |
Coulombic: | -66.5312 |
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: | 2.39 |
LogP (Chemaxon): | 2.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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