Chemical ID: 4965158

c1c(cc(c2c1c(c([nH]2)Cl)C=O)Cl)Cl
Chemical ID:
4965158
Name [?]:
2,5,7-trichloro-1H-indole-3-carbaldehyde
SMILES [?]:
c1c(cc(c2c1c(c([nH]2)Cl)C=O)Cl)Cl
InChi [?]:
InChI=1/C9H4Cl3NO/c10-4-1-5-6(3-14)9(12)13-8(5)7(11)2-4/h1-3,13H
InChi Info:
AuxInfo=1/0/N:1,3,11,2,6,7,4,5,8,14,13,10,9,12/rA:14nCCCCCCCCNClCOClCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s5s8;s8;s7;d11;s4;s2;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H4Cl3NO
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.31826
Area:395.205
Solvation:-2.56185
Coulombic:-18.8644
Bond Count [?]
All:15
Single:10
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:248.492
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.67
LogP (Chemaxon):3.29

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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