Chemical ID: 4813215

Cc1c(c(c2c(n1)-c3ccccc3C2=O)c4ccc(cc4)Cl)C#N
Chemical ID:
4813215
Name [?]:
None
SMILES [?]:
Cc1c(c(c2c(n1)-c3ccccc3C2=O)c4ccc(cc4)Cl)C#N
InChi [?]:
InChI=1/C20H11ClN2O/c1-11-16(10-22)17(12-6-8-13(21)9-7-12)18-19(23-11)14-4-2-3-5-15(14)20(18)24/h2-9H,1H3
InChi Info:
AuxInfo=1/0/N:1,10,11,9,12,17,21,18,20,23,2,16,19,8,13,3,4,5,6,14,22,24,7,15/E:(6,7)(8,9)/rA:24nCCCCCCNCCCCCCCOCCCCCCClCN/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d11;d8s12;s5s13;d14;s4;s16;d17;s18;d19;d16s20;s19;s3;t23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H11ClN2O
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.4063
Area:511.424
Solvation:-2.37932
Coulombic:-18.8358
Bond Count [?]
All:27
Single:16
Double:10
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:330.767
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.93
LogP (Chemaxon):4.18

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Descriptor Annotations

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