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Chemical ID: 7090631
Chemical ID:
7090631
Name [?]:
2-anilino-2-(p-tolyl)acetic acid
SMILES [?]:
Cc1ccc(cc1)C(C(=O)O)Nc2ccccc2
InChi [?]:
InChI=1/C15H15NO2/c1-11-7-9-12(10-8-11)14(15(17)18)16-13-5-3-2-4-6-13/h2-10,14,16H,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,14,18,3,7,4,6,2,5,13,8,9,12,10,11/E:(3,4)(5,6)(7,8)(9,10)(17,18)/rA:18cCCCCCCCCCOONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s8;s12;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15NO2 |
All Atoms: | 33 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.47448 |
Area: | 435.899 |
Solvation: | -2.42299 |
Coulombic: | -41.6522 |
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: | 3.06 |
LogP (Chemaxon): | 3.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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