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Chemical ID: 7089976
Chemical ID:
7089976
Name [?]:
2-(3-methoxyphenyl)amino-2-(p-tolyl)acetic acid
SMILES [?]:
Cc1ccc(cc1)C(C(=O)O)Nc2cccc(c2)OC
InChi [?]:
InChI=1/C16H17NO3/c1-11-6-8-12(9-7-11)15(16(18)19)17-13-4-3-5-14(10-13)20-2/h3-10,15,17H,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,20,15,14,16,3,7,4,6,18,2,5,13,17,8,9,12,10,11,19/E:(6,7)(8,9)(18,19)/rA:20cCCCCCCCCCOONCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s8;s12;s13;d14;s15;d16;d13s17;s17;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17NO3 |
All Atoms: | 37 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.10139 |
Area: | 474.15 |
Solvation: | -3.75236 |
Coulombic: | -47.9169 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 271.311 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.98 |
LogP (Chemaxon): | 3.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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