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Chemical ID: 7090892
Chemical ID:
7090892
Name [?]:
2-(p-tolyl)-2-(p-tolylamino)acetic acid
SMILES [?]:
Cc1ccc(cc1)C(C(=O)O)Nc2ccc(cc2)C
InChi [?]:
InChI=1/C16H17NO2/c1-11-3-7-13(8-4-11)15(16(18)19)17-14-9-5-12(2)6-10-14/h3-10,15,17H,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,19,3,7,15,17,4,6,14,18,2,16,5,13,8,9,12,10,11/E:(3,4)(5,6)(7,8)(9,10)(18,19)/rA:19cCCCCCCCCCOONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s8;s12;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17NO2 |
All Atoms: | 36 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.01443 |
Area: | 459.274 |
Solvation: | -2.46742 |
Coulombic: | -41.4015 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 255.312 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.5 |
LogP (Chemaxon): | 4.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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