Chemical ID: 6443933

Cc1cc(c2cc(c(nc2c1)Cl)C=O)C
Chemical ID:
6443933
Name [?]:
2-chloro-5,7-dimethyl-quinoline-3-carbaldehyde
SMILES [?]:
Cc1cc(c2cc(c(nc2c1)Cl)C=O)C
InChi [?]:
InChI=1/C12H10ClNO/c1-7-3-8(2)10-5-9(6-15)12(13)14-11(10)4-7/h3-6H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,3,11,6,13,2,4,7,5,10,8,12,9,14/rA:15nCCCCCCCCNCCClCOC/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;d2s10;s8;s7;d13;s4;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H10ClNO
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.7632
Area:377.263
Solvation:-2.66839
Coulombic:-13.1203
Bond Count [?]
All:16
Single:10
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:219.667
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.41
LogP (Chemaxon):3.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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