Chemical ID: 4230274

CCc1c2c(ccc3c2oc(=O)cc3C)oc1C(=O)C
Chemical ID:
4230274
Name [?]:
None
SMILES [?]:
CCc1c2c(ccc3c2oc(=O)cc3C)oc1C(=O)C
InChi [?]:
InChI=1/C16H14O4/c1-4-10-14-12(19-15(10)9(3)17)6-5-11-8(2)7-13(18)20-16(11)14/h5-7H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,15,20,2,7,6,13,14,18,3,8,5,11,4,17,9,19,12,16,10/rA:20nCCCCCCCCCOCOCCCOCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s8d13;s14;s5;d3s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14O4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.92131
Area:435.821
Solvation:-2.97422
Coulombic:-34.7058
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:2
XLogP:2.63
LogP (Chemaxon):3.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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