Chemical ID: 6504499

CCC(=O)c1cc(c(cc1O)O)Cl
Chemical ID:
6504499
Name [?]:
1-(5-chloro-2,4-dihydroxy-phenyl)propan-1-one
SMILES [?]:
CCC(=O)c1cc(c(cc1O)O)Cl
InChi [?]:
InChI=1/C9H9ClO3/c1-2-7(11)5-3-6(10)9(13)4-8(5)12/h3-4,12-13H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,6,9,5,7,3,10,8,13,4,11,12/rA:13nCCCOCCCCCCOOCl/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;s8;s7;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9ClO3
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:4.9087
Area:358.092
Solvation:-4.0436
Coulombic:-38.1334
Bond Count [?]
All:13
Single:9
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:200.619
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.35
LogP (Chemaxon):2.58

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Descriptor Annotations

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