Chemical ID: 4733923

Cc1ccc(cc1)C(=O)C=Cc2cccc(c2)Cl
Chemical ID:
4733923
Name [?]:
3-(3-chlorophenyl)-1-(p-tolyl)prop-2-en-1-one
SMILES [?]:
Cc1ccc(cc1)C(=O)C=Cc2cccc(c2)Cl
InChi [?]:
InChI=1/C16H13ClO/c1-12-5-8-14(9-6-12)16(18)10-7-13-3-2-4-15(17)11-13/h2-11H,1H3
InChi Info:
AuxInfo=1/0/N:1,14,13,15,3,7,11,4,6,10,17,2,12,5,16,8,18,9/E:(5,6)(8,9)/rA:18nCCCCCCCCOCCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13ClO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.296
Area:449.325
Solvation:-1.93712
Coulombic:-11.8168
Bond Count [?]
All:19
Single:11
Double:8
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:256.727
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.91
LogP (Chemaxon):5.0

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Descriptor Annotations

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