Chemical ID: 6918598

Cc1cc(=O)c2c(o1)cc3c(c2OC)CC(O3)C(C)(C)O
Chemical ID:
6918598
Name [?]:
None
SMILES [?]:
Cc1cc(=O)c2c(o1)cc3c(c2OC)CC(O3)C(C)(C)O
InChi [?]:
InChI=1/C16H18O5/c1-8-5-10(17)14-12(20-8)7-11-9(15(14)19-4)6-13(21-11)16(2,3)18/h5,7,13,18H,6H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,19,20,14,3,15,9,2,11,4,10,7,16,6,12,18,5,21,13,8,17/E:(2,3)/rA:21cCCCCOCCOCCCCOCCCOCCCO/rB:s1;d2;s3;d4;s4;s6;s2s7;d7;s9;d10;d6s11;s12;s13;s11;s15;s10s16;s16;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18O5
All Atoms:39
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:6.62327
Area:460.402
Solvation:-4.88678
Coulombic:-45.7865
Bond Count [?]
All:23
Single:18
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:290.311
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.8
LogP (Chemaxon):1.78

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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