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Chemical ID: 7715603
Chemical ID:
7715603
Name [?]:
None
SMILES [?]:
CCOc1cccc2c1Oc3c(c(=O)[nH]c(n3)c4ccccc4O)C2
InChi [?]:
InChI=1/C19H16N2O4/c1-2-24-15-9-5-6-11-10-13-18(23)20-17(21-19(13)25-16(11)15)12-7-3-4-8-14(12)22/h3-9,22H,2,10H2,1H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,20,21,6,7,19,22,5,25,8,18,12,23,4,9,16,13,11,15,17,24,14,3,10/rA:25nCCOCCCCCCOCCCONCNCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s12;d13;s13;s15;s11d16;s16;s18;d19;s20;d21;d18s22;s23;s8s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16N2O4 |
All Atoms: | 41 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.3449 |
Area: | 518.686 |
Solvation: | -5.62224 |
Coulombic: | -57.5217 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.53 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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