Chemical ID: 7089976

Cc1ccc(cc1)C(C(=O)O)Nc2cccc(c2)OC
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

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Descriptor Annotations

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