Chemical ID: 4965293

Cc1c(ccc2c1[nH]c(c2C=O)Cl)Cl
Chemical ID:
4965293
Name [?]:
2,6-dichloro-7-methyl-1H-indole-3-carbaldehyde
SMILES [?]:
Cc1c(ccc2c1[nH]c(c2C=O)Cl)Cl
InChi [?]:
InChI=1/C10H7Cl2NO/c1-5-8(11)3-2-6-7(4-14)10(12)13-9(5)6/h2-4,13H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,4,11,2,6,10,3,7,9,14,13,8,12/rA:14nCCCCCCCNCCCOClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s6d9;s10;d11;s9;s3;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H7Cl2NO
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.97907
Area:374.707
Solvation:-2.3886
Coulombic:-18.997
Bond Count [?]
All:15
Single:10
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:228.074
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.27
LogP (Chemaxon):3.24

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Descriptor Annotations

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