Chemical ID: 5579174

Cn1c2ccccc2c(c1Cl)C=O
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

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Descriptor Annotations

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