Chemical ID: 4772029

c1ccc(c(c1)C2CC(=O)c3ccccc3O2)Cl
Chemical ID:
4772029
Name [?]:
2-(2-chlorophenyl)chroman-4-one
SMILES [?]:
c1ccc(c(c1)C2CC(=O)c3ccccc3O2)Cl
InChi [?]:
InChI=1/C15H11ClO2/c16-12-7-3-1-5-10(12)15-9-13(17)11-6-2-4-8-14(11)18-15/h1-8,15H,9H2
InChi Info:
AuxInfo=1/0/N:1,13,2,14,6,12,3,15,8,5,11,4,9,16,7,18,10,17/rA:18cCCCCCCCCCOCCCCCCOCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s7s16;s4;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11ClO2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:8.46029
Area:421.735
Solvation:-2.08308
Coulombic:-18.7968
Bond Count [?]
All:20
Single:13
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:258.699
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.83
LogP (Chemaxon):3.36

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Descriptor Annotations

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