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Chemical ID: 6124371
Chemical ID:
6124371
Name [?]:
None
SMILES [?]:
CN(C)c1ccc2c(c1)nc3c(n2)C(=O)c4ccccc4C3=O
InChi [?]:
InChI=1/C18H13N3O2/c1-21(2)10-7-8-13-14(9-10)20-16-15(19-13)17(22)11-5-3-4-6-12(11)18(16)23/h3-9H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,18,19,17,20,5,6,9,4,16,21,7,8,12,11,14,22,13,10,2,15,23/E:(1,2)/rA:23nCNCCCCCCCNCCNCOCCCCCCCO/rB:s1;s2;s2;s4;d5;s6;s7;d4s8;d8;s10;d11;d7s12;s12;d14;s14;s16;d17;s18;d19;d16s20;s11s21;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H13N3O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.64053 |
Area: | 483.161 |
Solvation: | -3.4385 |
Coulombic: | -34.7476 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 303.315 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.92 |
LogP (Chemaxon): | 2.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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