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Chemical ID: 7217703
Chemical ID:
7217703
Name [?]:
2-(4-ethylphenyl)aminoacetate
SMILES [?]:
CCc1ccc(cc1)NCC(=O)[O-]
InChi [?]:
InChI=1/C10H13NO2/c1-2-8-3-5-9(6-4-8)11-7-10(12)13/h3-6,11H,2,7H2,1H3,(H,12,13)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,4,8,5,7,10,3,6,11,9,12,13/E:(3,4)(5,6)(12,13)/rA:13nCCCCCCCCNCCOO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12NO2- |
All Atoms: | 25 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -34.5691 |
Area: | 365.986 |
Solvation: | -43.7188 |
Coulombic: | -12.3096 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 178.208 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.47 |
LogP (Chemaxon): | 0.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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