Chemical ID: 4732952

Cc1ccc(c(c1)C)C(=O)C=Cc2ccccc2Cl
Chemical ID:
4732952
Name [?]:
3-(2-chlorophenyl)-1-(2,4-dimethylphenyl)-prop-2-en-1-one
SMILES [?]:
Cc1ccc(c(c1)C)C(=O)C=Cc2ccccc2Cl
InChi [?]:
InChI=1/C17H15ClO/c1-12-7-9-15(13(2)11-12)17(19)10-8-14-5-3-4-6-16(14)18/h3-11H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,15,16,14,17,3,12,4,11,7,2,6,13,5,18,9,19,10/rA:19nCCCCCCCCCOCCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15ClO
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.58095
Area:453.13
Solvation:-1.74729
Coulombic:-11.9898
Bond Count [?]
All:20
Single:12
Double:8
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:270.753
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.34
LogP (Chemaxon):5.47

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Descriptor Annotations

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