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Chemical ID: 4965293
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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