Chemical ID: 5711622

COc1ccc2c(cc(=O)oc2c1)COC(=O)Cc3ccccc3F
Chemical ID:
5711622
Name [?]:
(7-methoxy-2-oxo-chromen-4-yl)methyl 2-(2-fluorophenyl)acetate
SMILES [?]:
COc1ccc2c(cc(=O)oc2c1)COC(=O)Cc3ccccc3F
InChi [?]:
InChI=1/C19H15FO5/c1-23-14-6-7-15-13(9-19(22)25-17(15)10-14)11-24-18(21)8-12-4-2-3-5-16(12)20/h2-7,9-10H,8,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,21,22,20,23,4,5,18,8,13,14,19,7,3,6,24,12,16,9,25,17,10,2,15,11/rA:25nCOCCCCCCCOOCCCOCOCCCCCCCF/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;s9;d6s11;d3s12;s7;s14;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15FO5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.12922
Area:544.474
Solvation:-5.48265
Coulombic:-47.9501
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:342.318
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.23
LogP (Chemaxon):3.44

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Descriptor Annotations

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