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Chemical ID: 4239406
Chemical ID:
4239406
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)cccc2NC(=O)CN3c4cccc5c4c(ccc5)C3=O
InChi [?]:
InChI=1/C23H16N2O2/c26-21(24-19-12-4-7-15-6-1-2-10-17(15)19)14-25-20-13-5-9-16-8-3-11-18(22(16)20)23(25)27/h1-13H,14H2,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,2,24,8,18,6,7,25,19,3,23,9,17,14,5,20,4,22,10,16,12,21,26,11,15,13,27/rA:27nCCCCCCCCCCNCOCNCCCCCCCCCCCO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s21;d22;s23;s20d24;s15s22;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H16N2O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.059 |
Area: | 542.23 |
Solvation: | -3.49675 |
Coulombic: | -39.816 |
Bond Count [?]
All: | 31 |
Single: | 19 |
Double: | 12 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 352.385 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.38 |
LogP (Chemaxon): | 3.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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