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Chemical ID: 7090673
Chemical ID:
7090673
Name [?]:
2-(o-tolylamino)-2-phenyl-acetic acid
SMILES [?]:
Cc1ccccc1NC(c2ccccc2)C(=O)O
InChi [?]:
InChI=1/C15H15NO2/c1-11-7-5-6-10-13(11)16-14(15(17)18)12-8-3-2-4-9-12/h2-10,14,16H,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,13,12,14,4,5,3,11,15,6,2,10,7,9,16,8,17,18/E:(3,4)(8,9)(17,18)/rA:18cCCCCCCCNCCCCCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s9;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15NO2 |
All Atoms: | 33 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.35716 |
Area: | 431.145 |
Solvation: | -2.42147 |
Coulombic: | -41.7521 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 241.285 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.85 |
LogP (Chemaxon): | 3.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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