Chemical ID: 5231781

COc1ccc2c(c1OC)-c3ccccc3COC2=O
Chemical ID:
5231781
Name [?]:
None
SMILES [?]:
COc1ccc2c(c1OC)-c3ccccc3COC2=O
InChi [?]:
InChI=1/C16H14O4/c1-18-13-8-7-12-14(15(13)19-2)11-6-4-3-5-10(11)9-20-16(12)17/h3-8H,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,14,13,15,12,5,4,17,16,11,6,3,7,8,19,20,2,9,18/rA:20nCOCCCCCCOCCCCCCCCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;d12;s13;d14;d11s15;s16;s17;s6s18;d19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14O4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:5.66322
Area:427.503
Solvation:-5.02434
Coulombic:-34.7316
Bond Count [?]
All:22
Single:15
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:270.28
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.15
LogP (Chemaxon):2.5

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Descriptor Annotations

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