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Chemical ID: 3965629
Chemical ID:
3965629
Name [?]:
None
SMILES [?]:
c1ccc(cc1)c2cc(=O)c3c4ccccc4ccc3o2
InChi [?]:
InChI=1/C19H12O2/c20-16-12-18(14-7-2-1-3-8-14)21-17-11-10-13-6-4-5-9-15(13)19(16)17/h1-12H
InChi Info:
AuxInfo=1/0/N:1,2,6,15,14,16,3,5,13,18,19,8,17,4,12,9,20,7,11,10,21/E:(2,3)(7,8)/rA:21nCCCCCCCCCOCCCCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;d18;d11s19;s7s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H12O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.17537 |
Area: | 449.006 |
Solvation: | -2.04979 |
Coulombic: | -19.5366 |
Bond Count [?]
All: | 24 |
Single: | 14 |
Double: | 10 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 272.297 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.9 |
LogP (Chemaxon): | 4.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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