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Chemical ID: 7703020
Chemical ID:
7703020
Name [?]:
None
SMILES [?]:
CCOc1cc(ccc1O)C=NNC(=O)CNC(=O)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C18H18ClN3O4/c1-2-26-16-9-12(3-8-15(16)23)10-21-22-17(24)11-20-18(25)13-4-6-14(19)7-5-13/h3-10,23H,2,11H2,1H3,(H,20,25)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,2,7,21,25,22,24,8,5,11,16,6,20,23,9,4,14,18,26,17,12,13,10,15,19,3/E:(4,5)(6,7)/rA:26nCCOCCCCCCOCNNCOCNCOCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;w11;s12;s13;d14;s14;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18ClN3O4 |
All Atoms: | 44 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.1765 |
Area: | 631.205 |
Solvation: | -6.60362 |
Coulombic: | -63.7891 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 9 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.72 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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