Chemical ID: 5119079

Cc1c(ccc2c1nc(cc2C(=O)C)c3ccccc3)Cl
Chemical ID:
5119079
Name [?]:
1-(7-chloro-8-methyl-2-phenyl-4-quinolyl)ethanone
SMILES [?]:
Cc1c(ccc2c1nc(cc2C(=O)C)c3ccccc3)Cl
InChi [?]:
InChI=1/C18H14ClNO/c1-11-16(19)9-8-14-15(12(2)21)10-17(20-18(11)14)13-6-4-3-5-7-13/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,18,17,19,16,20,5,4,10,2,12,15,6,11,3,9,7,21,8,13/E:(4,5)(6,7)/rA:21nCCCCCCCNCCCCOCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;s6d10;s11;d12;s12;s9;s15;d16;s17;d18;d15s19;s3;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14ClNO
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.76005
Area:478.245
Solvation:-2.19607
Coulombic:-15.363
Bond Count [?]
All:23
Single:14
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:295.763
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.84
LogP (Chemaxon):4.51

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