Chemical ID: 4813173

c1ccc(cc1)C23C(=O)c4ccccc4C2(O3)C(=O)O
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

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