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Chemical ID: 4566054
Chemical ID:
4566054
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1)Nc2c-3c4c(cccc4n(c2=O)C)C(=O)c5c3cccc5
InChi [?]:
InChI=1/C25H20N2O3/c1-3-30-16-13-11-15(12-14-16)26-23-22-17-7-4-5-8-18(17)24(28)19-9-6-10-20(21(19)22)27(2)25(23)29/h4-14,26H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,2,28,29,16,27,30,15,17,6,8,5,9,7,4,26,25,14,18,13,12,11,23,20,10,19,24,21,3/E:(11,12)(13,14)/rA:30nCCOCCCCCCNCCCCCCCCNCOCCOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;s13;d14;s15;d16;d13s17;s18;s11s19;d20;s19;s14;d23;s23;s12s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H20N2O3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5058 |
Area: | 582.656 |
Solvation: | -4.06057 |
Coulombic: | -46.365 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 396.438 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.08 |
LogP (Chemaxon): | 4.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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