Chemical ID: 4558793

c1ccc2c(c1)c(=O)cc(o2)c3cc(cc4c3OCOC4)Cl
Chemical ID:
4558793
Name [?]:
2-(9-chloro-3,5-dioxabicyclo[4.4.0]deca-6,8,10-trien-7-yl)chromen-4-one
SMILES [?]:
c1ccc2c(c1)c(=O)cc(o2)c3cc(cc4c3OCOC4)Cl
InChi [?]:
InChI=1/C17H11ClO4/c18-11-5-10-8-20-9-21-17(10)13(6-11)16-7-14(19)12-3-1-2-4-15(12)22-16/h1-7H,8-9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,15,13,9,21,19,16,14,5,12,7,4,10,17,22,8,20,18,11/rA:22nCCCCCCCOCCOCCCCCCOCOCCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;d9;s4s10;s10;s12;d13;s14;d15;d12s16;s17;s18;s19;s16s20;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H11ClO4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:7.25065
Area:480.605
Solvation:-4.76448
Coulombic:-32.286
Bond Count [?]
All:25
Single:17
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:314.72
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.8
LogP (Chemaxon):3.82

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Descriptor Annotations

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