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Chemical ID: 5237066
Chemical ID:
5237066
Name [?]:
None
SMILES [?]:
Cc1cc2n(n1)c(=O)c3cc4ccccc4cc3o2
InChi [?]:
InChI=1/C15H10N2O2/c1-9-6-14-17(16-9)15(18)12-7-10-4-2-3-5-11(10)8-13(12)19-14/h2-8H,1H3
InChi Info:
AuxInfo=1/0/N:1,13,14,12,15,3,10,17,2,11,16,9,18,4,7,6,5,8,19/rA:19nCCCCNNCOCCCCCCCCCCO/rB:s1;s2;d3;s4;d2s5;s5;d7;s7;s9;d10;s11;d12;s13;d14;s11s15;d16;d9s17;s4s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10N2O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.92749 |
Area: | 414.344 |
Solvation: | -2.43111 |
Coulombic: | -24.4002 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 250.252 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.44 |
LogP (Chemaxon): | 3.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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