Chemical ID: 4758738

c1ccc2c(c1)C(=O)C(C(O2)c3ccc(cc3)Cl)O
Chemical ID:
4758738
Name [?]:
2-(4-chlorophenyl)-3-hydroxy-chroman-4-one
SMILES [?]:
c1ccc2c(c1)C(=O)C(C(O2)c3ccc(cc3)Cl)O
InChi [?]:
InChI=1/C15H11ClO3/c16-10-7-5-9(6-8-10)15-14(18)13(17)11-3-1-2-4-12(11)19-15/h1-8,14-15,18H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,13,17,14,16,12,15,5,4,7,9,10,18,8,19,11/E:(5,6)(7,8)/rA:19cCCCCCCCOCCOCCCCCCClO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s4s10;s10;s12;d13;s14;d15;d12s16;s15;s9;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11ClO3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:2
ZAP Information [?]
Total:7.61864
Area:443.763
Solvation:-3.47543
Coulombic:-36.1251
Bond Count [?]
All:21
Single:14
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:274.699
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.5
LogP (Chemaxon):2.93

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