Chemical ID: 5235427

c1ccc2c(c1)c(=O)c3c(o2)CC4(CCCCC4)OC3=O
Chemical ID:
5235427
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c(=O)c3c(o2)CC4(CCCCC4)OC3=O
InChi [?]:
InChI=1/C17H16O4/c18-15-11-6-2-3-7-12(11)20-13-10-17(8-4-1-5-9-17)21-16(19)14(13)15/h2-3,6-7H,1,4-5,8-10H2
InChi Info:
AuxInfo=1/0/N:16,1,2,15,17,6,3,14,18,12,5,4,10,9,7,20,13,8,21,11,19/E:(4,5)(8,9)/rA:21nCCCCCCCOCCOCCCCCCCOCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;d9;s4s10;s10;s12;s13;s14;s15;s16;s13s17;s13;s9s19;d20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16O4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.51224
Area:437.065
Solvation:-3.41439
Coulombic:-34.7072
Bond Count [?]
All:24
Single:18
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:284.307
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.21
LogP (Chemaxon):2.59

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