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Chemical ID: 7704843
Chemical ID:
7704843
Name [?]:
None
SMILES [?]:
CCOc1cc(ccc1O)C=NNC(=O)C(=O)Nc2cccc(c2)C
InChi [?]:
InChI=1/C18H19N3O4/c1-3-25-16-10-13(7-8-15(16)22)11-19-21-18(24)17(23)20-14-6-4-5-12(2)9-14/h4-11,22H,3H2,1-2H3,(H,20,23)(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,25,2,21,22,20,7,8,24,5,11,23,6,19,9,4,16,14,12,18,13,10,17,15,3/rA:25nCCOCCCCCCOCNNCOCONCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;w11;s12;s13;d14;s14;d16;s16;s18;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19N3O4 |
All Atoms: | 44 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.26351 |
Area: | 590.024 |
Solvation: | -5.4871 |
Coulombic: | -67.1709 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.39 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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