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Chemical ID: 4768087
Chemical ID:
4768087
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)cc3c(n2)c4ccccc4oc3=O
InChi [?]:
InChI=1/C17H11NO2/c1-10-6-7-14-11(8-10)9-13-16(18-14)12-4-2-3-5-15(12)20-17(13)19/h2-9H,1H3
InChi Info:
AuxInfo=1/0/N:1,14,15,13,16,3,4,7,8,2,6,12,9,5,17,10,19,11,20,18/rA:20nCCCCCCCCCCNCCCCCCOCO/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;d9;d5s10;s10;s12;d13;s14;d15;d12s16;s17;s9s18;d19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H11NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.78739 |
Area: | 425.88 |
Solvation: | -1.85961 |
Coulombic: | -26.4643 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 261.275 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.07 |
LogP (Chemaxon): | 4.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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