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Chemical ID: 7693559
Chemical ID:
7693559
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)c2cc(c3ccccc3n2)O
InChi [?]:
InChI=1/C16H13NO/c1-11-6-8-12(9-7-11)15-10-16(18)13-4-2-3-5-14(13)17-15/h2-10H,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,13,14,12,15,3,7,4,6,9,2,5,11,16,8,10,17,18/E:(6,7)(8,9)/rA:18nCCCCCCCCCCCCCCCCNO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s11;d12;s13;d14;d11s15;d8s16;s10;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13NO |
All Atoms: | 31 |
Heavy Atoms: | 18 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.4871 |
Area: | 417.584 |
Solvation: | -1.95249 |
Coulombic: | -24.079 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 1 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.18 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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