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Chemical ID: 5153180
Chemical ID:
5153180
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)N=c3cc4c(=Nc5ccccc5O4)cc3O2
InChi [?]:
InChI=1/C18H10N2O2/c1-3-7-15-11(5-1)19-13-9-18-14(10-17(13)21-15)20-12-6-2-4-8-16(12)22-18/h1-10H
InChi Info:
AuxInfo=1/0/N:1,15,2,16,6,14,3,17,9,20,5,13,8,11,4,18,21,10,7,12,22,19/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)/rA:22nCCCCCCNCCCCNCCCCCCOCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;d13s17;s10s18;s11;s8d20;s4s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H10N2O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.2318 |
Area: | 451.762 |
Solvation: | -2.06225 |
Coulombic: | -29.2277 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 286.284 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.38 |
LogP (Chemaxon): | 4.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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