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Chemical ID: 6705785
Chemical ID:
6705785
Name [?]:
2-benzamidobenzoate
SMILES [?]:
c1ccc(cc1)C(=O)Nc2ccccc2C(=O)[O-]
InChi [?]:
InChI=1/C14H11NO3/c16-13(10-6-2-1-3-7-10)15-12-9-5-4-8-11(12)14(17)18/h1-9H,(H,15,16)(H,17,18)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,13,12,3,5,14,11,4,15,10,7,16,9,8,17,18/E:(2,3)(6,7)(17,18)/rA:18nCCCCCCCONCCCCCCCOO-/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10NO3- |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -31.1935 |
Area: | 414.281 |
Solvation: | -41.5505 |
Coulombic: | -24.9844 |
Bond Count [?]
All: | 19 |
Single: | 11 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 240.234 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.77 |
LogP (Chemaxon): | 3.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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