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Chemical ID: 6469643
Chemical ID:
6469643
Name [?]:
None
SMILES [?]:
c1ccc2cc(ccc2c1)NC(=O)CN3c4cccc5c4c(ccc5)C3=O
InChi [?]:
InChI=1/C23H16N2O2/c26-21(24-18-12-11-15-5-1-2-6-17(15)13-18)14-25-20-10-4-8-16-7-3-9-19(22(16)20)23(25)27/h1-13H,14H2,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,2,24,18,10,3,25,19,23,17,8,7,5,14,9,20,4,6,22,16,12,21,26,11,15,13,27/rA:27nCCCCCCCCCCNCOCNCCCCCCCCCCCO/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;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: | 10.0438 |
Area: | 544.91 |
Solvation: | -3.57898 |
Coulombic: | -39.4425 |
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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