Chemical ID: 4119172

c1ccc(cc1)C(c2ccccc2)C(=O)NCC(=O)O
Chemical ID:
4119172
Name [?]:
2-(2,2-diphenylacetyl)aminoacetic acid
SMILES [?]:
c1ccc(cc1)C(c2ccccc2)C(=O)NCC(=O)O
InChi [?]:
InChI=1/C16H15NO3/c18-14(19)11-17-16(20)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H,17,20)(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,11,2,6,10,12,3,5,9,13,17,4,8,18,7,14,16,19,20,15/E:(1,2)(3,4,5,6)(7,8,9,10)(12,13)(18,19)/rA:20nCCCCCCCCCCCCCCONCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s7;d14;s14;s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15NO3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.69732
Area:469.45
Solvation:-3.03894
Coulombic:-50.4945
Bond Count [?]
All:21
Single:13
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:269.295
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.29
LogP (Chemaxon):2.38

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