Chemical ID: 6709590

CCOc1ccc(cc1)C(CC(=O)[O-])[NH3+]
Chemical ID:
6709590
Name [?]:
3-azaniumyl-3-(4-ethoxyphenyl)-propanoate
SMILES [?]:
CCOc1ccc(cc1)C(CC(=O)[O-])[NH3+]
InChi [?]:
InChI=1/C11H15NO3/c1-2-15-9-5-3-8(4-6-9)10(12)7-11(13)14/h3-6,10H,2,7,12H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,8,5,9,11,7,4,10,12,15,13,14,3/E:(3,4)(5,6)(13,14)/rA:15cCCOCCCCCCCCCOO-N+/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s10;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H15NO3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:-31.359
Area:397.558
Solvation:-41.2979
Coulombic:-6.65381
Bond Count [?]
All:15
Single:11
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:209.242
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:0.64
LogP (Chemaxon):-1.24

Name Annotations

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Descriptor Annotations

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