Chemical ID: 6673426

c1ccc2c(c1)ccc(c2N=Nc3ccc(cc3)OCC(=O)O)O
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

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