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Chemical ID: 4688798
Chemical ID:
4688798
Name [?]:
None
SMILES [?]:
COc1ccc(cc1OC)c2cc3c(nn2)-c4ccccc4C3=O
InChi [?]:
InChI=1/C19H14N2O3/c1-23-16-8-7-11(9-17(16)24-2)15-10-14-18(21-20-15)12-5-3-4-6-13(12)19(14)22/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,19,20,18,21,5,4,7,12,6,17,22,13,11,3,8,14,23,16,15,24,2,9/rA:24nCOCCCCCCOCCCCCNNCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s13;d14;d11s15;s14;s17;d18;s19;d20;d17s21;s13s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H14N2O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.22368 |
Area: | 514.393 |
Solvation: | -5.63615 |
Coulombic: | -26.4924 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 318.326 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.09 |
LogP (Chemaxon): | 2.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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