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Chemical ID: 4965158
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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