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Chemical ID: 7116896
Chemical ID:
7116896
Name [?]:
4-(2,2-diphenylacetyl)aminobenzoate
SMILES [?]:
c1ccc(cc1)C(c2ccccc2)C(=O)Nc3ccc(cc3)C(=O)[O-]
InChi [?]:
InChI=1/C21H17NO3/c23-20(22-18-13-11-17(12-14-18)21(24)25)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19H,(H,22,23)(H,24,25)/p-1
InChi Info:
AuxInfo=1/1/N:1,11,2,6,10,12,3,5,9,13,19,21,18,22,4,8,20,17,7,14,23,16,15,24,25/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(15,16)(24,25)/rA:25nCCCCCCCCCCCCCCONCCCCCCCOO-/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s7;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H16NO3- |
All Atoms: | 41 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -31.3343 |
Area: | 542.051 |
Solvation: | -44.8855 |
Coulombic: | -23.9894 |
Bond Count [?]
All: | 27 |
Single: | 16 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 330.357 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.61 |
LogP (Chemaxon): | 4.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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