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Chemical ID: 4119172
Chemical ID:
4119172
Name [?]:
2-(2,2-diphenylacetyl)aminoacetic acid
SMILES [?]:
c1ccc(cc1)C(c2ccccc2)C(=O)NCC(=O)O
InChi [?]:
InChI=1/C16H15NO3/c18-14(19)11-17-16(20)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H,17,20)(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,11,2,6,10,12,3,5,9,13,17,4,8,18,7,14,16,19,20,15/E:(1,2)(3,4,5,6)(7,8,9,10)(12,13)(18,19)/rA:20nCCCCCCCCCCCCCCONCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s7;d14;s14;s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15NO3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.69732 |
Area: | 469.45 |
Solvation: | -3.03894 |
Coulombic: | -50.4945 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 269.295 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.29 |
LogP (Chemaxon): | 2.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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