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Chemical ID: 4813173
Chemical ID:
4813173
Name [?]:
None
SMILES [?]:
c1ccc(cc1)C23C(=O)c4ccccc4C2(O3)C(=O)O
InChi [?]:
InChI=1/C16H10O4/c17-13-11-8-4-5-9-12(11)16(14(18)19)15(13,20-16)10-6-2-1-3-7-10/h1-9H,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,12,13,3,5,11,14,4,10,15,8,18,7,16,9,19,20,17/E:(2,3)(6,7)(18,19)/rA:20cCCCCCCCCOCCCCCCCOCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;d11;s12;d13;d10s14;s7s15;s7s16;s16;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H10O4 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.66349 |
Area: | 425.645 |
Solvation: | -2.97763 |
Coulombic: | -49.2396 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 266.248 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.83 |
LogP (Chemaxon): | 2.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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