Chemical ID: 6717861

CCOc1ccc(c2c1cccc2)C(CC(=O)[O-])[NH3+]
Chemical ID:
6717861
Name [?]:
3-azaniumyl-3-(4-ethoxy-1-naphthyl)-propanoate
SMILES [?]:
CCOc1ccc(c2c1cccc2)C(CC(=O)[O-])[NH3+]
InChi [?]:
InChI=1/C15H17NO3/c1-2-19-14-8-7-11(13(16)9-15(17)18)10-5-3-4-6-12(10)14/h3-8,13H,2,9,16H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,12,11,13,10,6,5,15,8,7,9,14,4,16,19,17,18,3/E:(17,18)/rA:19cCCOCCCCCCCCCCCCCOO-N+/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s11;s8d12;s7;s14;s15;d16;s16;s14;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H17NO3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:-30.3157
Area:449.199
Solvation:-41.5456
Coulombic:-7.16067
Bond Count [?]
All:20
Single:14
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:259.3
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.91
LogP (Chemaxon):-0.24

Name Annotations

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Descriptor Annotations

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