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Chemical ID: 6346857
Chemical ID:
6346857
Name [?]:
None
SMILES [?]:
c1ccc-2c(c1)CC(=O)n3c2nc4c3cccc4
InChi [?]:
InChI=1/C15H10N2O/c18-14-9-10-5-1-2-6-11(10)15-16-12-7-3-4-8-13(12)17(14)15/h1-8H,9H2
InChi Info:
AuxInfo=1/0/N:1,2,17,16,6,3,18,15,7,5,4,13,14,8,11,12,10,9/rA:18nCCCCCCCCONCNCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s4s10;d11;s12;s10s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10N2O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.96972 |
Area: | 391.212 |
Solvation: | -1.81058 |
Coulombic: | -22.8591 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 234.253 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.15 |
LogP (Chemaxon): | 3.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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