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Chemical ID: 6673426
Chemical ID:
6673426
Name [?]:
2-[4-[(2-hydroxy-1-naphthyl)azo]phenoxy]acetic acid
SMILES [?]:
c1ccc2c(c1)ccc(c2N=Nc3ccc(cc3)OCC(=O)O)O
InChi [?]:
InChI=1/C18H14N2O4/c21-16-10-5-12-3-1-2-4-15(12)18(16)20-19-13-6-8-14(9-7-13)24-11-17(22)23/h1-10,21H,11H2,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,14,18,15,17,8,20,5,13,16,4,9,21,10,12,11,24,22,23,19/E:(6,7)(8,9)(22,23)/rA:24nCCCCCCCCCCNNCCCCCCOCCOOO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;w11;s12;s13;d14;s15;d16;d13s17;s16;s19;s20;d21;s21;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14N2O4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.60536 |
Area: | 500.848 |
Solvation: | -4.91585 |
Coulombic: | -55.3365 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 322.315 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.3 |
LogP (Chemaxon): | 4.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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