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Chemical ID: 4758431
Chemical ID:
4758431
Name [?]:
None
SMILES [?]:
Cc1cc(nc2c1c3c(o2)C(=O)N(CC(=O)N3)c4ccccc4)C
InChi [?]:
InChI=1/C18H15N3O3/c1-10-8-11(2)19-17-14(10)15-16(24-17)18(23)21(9-13(22)20-15)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,24,21,20,22,19,23,3,14,2,4,18,15,7,8,9,6,11,5,17,13,16,12,10/E:(4,5)(6,7)/rA:24nCCCCNCCCCOCONCCONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s6s9;s9;d11;s11;s13;s14;d15;s8s15;s13;s18;d19;s20;d21;d18s22;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15N3O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.38319 |
Area: | 496.133 |
Solvation: | -4.02014 |
Coulombic: | -51.2969 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 321.33 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.46 |
LogP (Chemaxon): | 2.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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