Chemical ID: 7090892

Cc1ccc(cc1)C(C(=O)O)Nc2ccc(cc2)C
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

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Descriptor Annotations

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