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Chemical ID: 6709252
Chemical ID:
6709252
Name [?]:
4-(4-methoxybenzoyl)aminobenzoate
SMILES [?]:
COc1ccc(cc1)C(=O)Nc2ccc(cc2)C(=O)[O-]
InChi [?]:
InChI=1/C15H13NO4/c1-20-13-8-4-10(5-9-13)14(17)16-12-6-2-11(3-7-12)15(18)19/h2-9H,1H3,(H,16,17)(H,18,19)/p-1
InChi Info:
AuxInfo=1/1/N:1,14,16,5,7,13,17,4,8,6,15,12,3,9,18,11,10,19,20,2/E:(2,3)(4,5)(6,7)(8,9)(18,19)/rA:20nCOCCCCCCCONCCCCCCCOO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12NO4- |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -33.808 |
Area: | 466.034 |
Solvation: | -45.4588 |
Coulombic: | -29.121 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 270.26 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.04 |
LogP (Chemaxon): | 2.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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