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Chemical ID: 5810686
Chemical ID:
5810686
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CN2C(=O)c3cccc4c3c(ccc4N5CCCC5)C2=O
InChi [?]:
InChI=1/C23H20N2O2/c26-22-18-10-6-9-17-20(24-13-4-5-14-24)12-11-19(21(17)18)23(27)25(22)15-16-7-2-1-3-8-16/h1-3,6-12H,4-5,13-15H2
InChi Info:
AuxInfo=1/0/N:1,2,6,23,24,13,3,5,14,12,18,19,22,25,7,4,15,11,17,20,16,9,26,21,8,10,27/E:(2,3)(4,5)(7,8)(13,14)/rA:27nCCCCCCCNCOCCCCCCCCCCNCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;d17;s18;s15d19;s20;s21;s22;s23;s21s24;s8s17;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H20N2O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0888 |
Area: | 536.737 |
Solvation: | -2.32959 |
Coulombic: | -35.9246 |
Bond Count [?]
All: | 31 |
Single: | 21 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 356.417 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.82 |
LogP (Chemaxon): | 3.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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