Chemical ID: 6896651

COc1c(=O)c2ccccc2oc1c3ccccc3Cl
Chemical ID:
6896651
Name [?]:
2-(2-chlorophenyl)-3-methoxy-chromen-4-one
SMILES [?]:
COc1c(=O)c2ccccc2oc1c3ccccc3Cl
InChi [?]:
InChI=1/C16H11ClO3/c1-19-16-14(18)11-7-3-5-9-13(11)20-15(16)10-6-2-4-8-12(10)17/h2-9H,1H3
InChi Info:
AuxInfo=1/0/N:1,16,8,17,9,15,7,18,10,14,6,19,11,4,13,3,20,5,2,12/rA:20nCOCCOCCCCCCOCCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s11;d3s12;s13;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11ClO3
All Atoms:31
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.3519
Area:441.032
Solvation:-2.67389
Coulombic:-28.1125
Bond Count [?]
All:22
Single:14
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:286.709
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.49
LogP (Chemaxon):3.88

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Descriptor Annotations

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