Chemical ID: 7217703

CCc1ccc(cc1)NCC(=O)[O-]
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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