Chemical ID: 4934237

CC1(CC(C2=C(O1)C(=O)c3c(cccc3OC)C2=O)O)C
Chemical ID:
4934237
Name [?]:
None
SMILES [?]:
CC1(CC(C2=C(O1)C(=O)c3c(cccc3OC)C2=O)O)C
InChi [?]:
InChI=1/C16H16O5/c1-16(2)7-9(17)12-13(18)8-5-4-6-10(20-3)11(8)14(19)15(12)21-16/h4-6,9,17H,7H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,21,17,13,12,14,3,11,4,15,10,5,18,8,6,2,20,19,9,16,7/E:(1,2)/rA:21cCCCCCCOCOCCCCCCOCCOOC/rB:s1;s2;s3;s4;d5;s2s6;s6;d8;s8;s10;d11;s12;d13;d10s14;s15;s16;s5s11;d18;s4;s2;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16O5
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:5.04627
Area:439.8
Solvation:-5.94874
Coulombic:-46.6035
Bond Count [?]
All:23
Single:17
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:288.295
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.83
LogP (Chemaxon):0.76

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Descriptor Annotations

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