Chemical ID: 5269738

c1ccc(cc1)c2cc3c(cc2O)c(cc(=O)o3)CCl
Chemical ID:
5269738
Name [?]:
4-(chloromethyl)-6-hydroxy-7-phenyl-chromen-2-one
SMILES [?]:
c1ccc(cc1)c2cc3c(cc2O)c(cc(=O)o3)CCl
InChi [?]:
InChI=1/C16H11ClO3/c17-9-11-6-16(19)20-15-8-12(14(18)7-13(11)15)10-4-2-1-3-5-10/h1-8,18H,9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,15,11,8,19,4,14,7,10,12,9,16,20,13,17,18/E:(2,3)(4,5)/rA:20nCCCCCCCCCCCCOCCCOOCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s12;s10;d14;s15;d16;s9s16;s14;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11ClO3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.12399
Area:462.63
Solvation:-3.44175
Coulombic:-35.8927
Bond Count [?]
All:22
Single:14
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:286.709
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.69
LogP (Chemaxon):4.12

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Descriptor Annotations

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