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Chemical ID: 6725208
Chemical ID:
6725208
Name [?]:
2-(4-acetamidobenzoyl)aminobenzoate
SMILES [?]:
CC(=O)Nc1ccc(cc1)C(=O)Nc2ccccc2C(=O)[O-]
InChi [?]:
InChI=1/C16H14N2O4/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16(21)22/h2-9H,1H3,(H,17,19)(H,18,20)(H,21,22)/p-1
InChi Info:
AuxInfo=1/1/N:1,17,16,18,15,7,9,6,10,2,8,5,19,14,11,20,4,13,3,12,21,22/E:(6,7)(8,9)(21,22)/rA:22nCCONCCCCCCCONCCCCCCCOO-/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13N2O4- |
All Atoms: | 35 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -30.0701 |
Area: | 488.883 |
Solvation: | -42.2922 |
Coulombic: | -43.7799 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 297.285 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.02 |
LogP (Chemaxon): | 2.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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