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Chemical ID: 5163351
Chemical ID:
5163351
Name [?]:
2-[1-(6,7-dimethoxy-2-naphthyl)ethylamino]acetic acid
SMILES [?]:
CC(c1ccc2cc(c(cc2c1)OC)OC)NCC(=O)O
InChi [?]:
InChI=1/C16H19NO4/c1-10(17-9-16(18)19)11-4-5-12-7-14(20-2)15(21-3)8-13(12)6-11/h4-8,10,17H,9H2,1-3H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,16,14,4,5,12,7,10,18,2,3,6,11,8,9,19,17,20,21,15,13/E:(18,19)/rA:21cCCCCCCCCCCCCOCOCNCCOO/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;d3s11;s9;s13;s8;s15;s2;s17;s18;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H19NO4 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.25681 |
Area: | 496.711 |
Solvation: | -6.16096 |
Coulombic: | -49.3973 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 289.326 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.27 |
LogP (Chemaxon): | -0.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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