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Chemical ID: 6714431
Chemical ID:
6714431
Name [?]:
2-(3,4-dimethoxybenzoyl)aminobenzoate
SMILES [?]:
COc1ccc(cc1OC)C(=O)Nc2ccccc2C(=O)[O-]
InChi [?]:
InChI=1/C16H15NO5/c1-21-13-8-7-10(9-14(13)22-2)15(18)17-12-6-4-3-5-11(12)16(19)20/h3-9H,1-2H3,(H,17,18)(H,19,20)/p-1
InChi Info:
AuxInfo=1/1/N:1,10,17,16,18,15,5,4,7,6,19,14,3,8,11,20,13,12,21,22,2,9/E:(19,20)/rA:22nCOCCCCCCOCCONCCCCCCCOO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14NO5- |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -31.2035 |
Area: | 487.264 |
Solvation: | -43.3851 |
Coulombic: | -38.6957 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 300.286 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.33 |
LogP (Chemaxon): | 2.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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