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Chemical ID: 6443933
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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