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Chemical ID: 7089965
Chemical ID:
7089965
Name [?]:
2-(2-methoxyphenyl)amino-2-phenyl-acetic acid
SMILES [?]:
COc1ccccc1NC(c2ccccc2)C(=O)O
InChi [?]:
InChI=1/C15H15NO3/c1-19-13-10-6-5-9-12(13)16-14(15(17)18)11-7-3-2-4-8-11/h2-10,14,16H,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,6,5,12,16,7,4,11,8,3,10,17,9,18,19,2/E:(3,4)(7,8)(17,18)/rA:19cCOCCCCCCNCCCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s10;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15NO3 |
All Atoms: | 34 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.37457 |
Area: | 447.536 |
Solvation: | -3.81383 |
Coulombic: | -48.8358 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 257.285 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.54 |
LogP (Chemaxon): | 2.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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