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Chemical ID: 4279835
Chemical ID:
4279835
Name [?]:
3-[[5-[(2,3-dihydroxyphenyl)methyleneamino]-1-naphthyl]iminomethyl]benzene-1,2-diol
SMILES [?]:
c1cc(c(c(c1)O)O)C=Nc2cccc3c2cccc3N=Cc4cccc(c4O)O
InChi [?]:
InChI=1/C24H18N2O4/c27-21-11-1-5-15(23(21)29)13-25-19-9-3-8-18-17(19)7-4-10-20(18)26-14-16-6-2-12-22(28)24(16)30/h1-14,27-30H
InChi Info:
AuxInfo=1/0/N:1,25,13,18,2,24,17,14,12,19,6,26,9,22,3,23,16,15,11,20,5,27,4,28,10,21,7,30,8,29/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)/rA:30nCCCCCCOOCNCCCCCCCCCCNCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;s4;s3;w9;s10;s11;d12;s13;d14;d11s15;s16;d17;s18;s15d19;s20;w21;s22;s23;d24;s25;d26;d23s27;s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H18N2O4 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.53578 |
Area: | 571.343 |
Solvation: | -5.7478 |
Coulombic: | -77.4754 |
Bond Count [?]
All: | 33 |
Single: | 20 |
Double: | 13 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 398.411 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 6 |
XLogP: | 5.23 |
LogP (Chemaxon): | 6.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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