Chemical ID: 4532686

c1cc(ccc1c2ccc(o2)C=C3C(=O)OC4(CCCC4)OC3=O)Cl
Chemical ID:
4532686
Name [?]:
8-[[5-(4-chlorophenyl)-2-furyl]methylene]-6,10-dioxaspiro[4.5]decane-7,9-dione
SMILES [?]:
c1cc(ccc1c2ccc(o2)C=C3C(=O)OC4(CCCC4)OC3=O)Cl
InChi [?]:
InChI=1/C19H15ClO5/c20-13-5-3-12(4-6-13)16-8-7-14(23-16)11-15-17(21)24-19(25-18(15)22)9-1-2-10-19/h3-8,11H,1-2,9-10H2
InChi Info:
AuxInfo=1/0/N:19,20,1,5,2,4,9,8,18,21,12,6,3,10,13,7,14,23,17,25,15,24,11,16,22/E:(1,2)(3,4)(5,6)(9,10)(17,18)(21,22)(24,25)/rA:25nCCCCCCCCCCOCCCOOCCCCCOCOCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;d9;s7s10;s10;d12;s13;d14;s14;s16;s17;s18;s19;s17s20;s17;s13s22;d23;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15ClO5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.9163
Area:543.486
Solvation:-3.67085
Coulombic:-46.5799
Bond Count [?]
All:28
Single:20
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:358.772
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.54
LogP (Chemaxon):4.1

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Descriptor Annotations

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