Chemical ID: 6918682

CC(C)(C=C)c1cc2cc3ccoc3cc2oc1=O
Chemical ID:
6918682
Name [?]:
None
SMILES [?]:
CC(C)(C=C)c1cc2cc3ccoc3cc2oc1=O
InChi [?]:
InChI=1/C16H14O3/c1-4-16(2,3)12-8-11-7-10-5-6-18-13(10)9-14(11)19-15(12)17/h4-9H,1H2,2-3H3
InChi Info:
AuxInfo=1/0/N:5,1,3,4,11,12,9,7,15,10,8,6,14,16,18,2,19,13,17/E:(2,3)/rA:19nCCCCCCCCCCCCOCCCOCO/rB:s1;s2;s2;d4;s2;d6;s7;s8;d9;s10;d11;s12;s10s13;d14;d8s15;s16;s6s17;d18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14O3
All Atoms:33
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.54028
Area:418.952
Solvation:-2.93353
Coulombic:-27.901
Bond Count [?]
All:21
Single:14
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:254.281
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.16
LogP (Chemaxon):4.5

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Descriptor Annotations

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