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Chemical ID: 5579174
Chemical ID:
5579174
Name [?]:
2-chloro-1-methyl-indole-3-carbaldehyde
SMILES [?]:
Cn1c2ccccc2c(c1Cl)C=O
InChi [?]:
InChI=1/C10H8ClNO/c1-12-9-5-3-2-4-7(9)8(6-13)10(12)11/h2-6H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,4,12,8,9,3,10,11,2,13/rA:13nCNCCCCCCCCClCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s2d9;s10;s9;d12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H8ClNO |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.09797 |
Area: | 341.897 |
Solvation: | -2.44945 |
Coulombic: | -14.3426 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 193.629 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.72 |
LogP (Chemaxon): | 2.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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