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Chemical ID: 4965169
Chemical ID:
4965169
Name [?]:
2-chloro-5,7-dimethyl-1H-indole-3-carbaldehyde
SMILES [?]:
Cc1cc(c2c(c1)c(c([nH]2)Cl)C=O)C
InChi [?]:
InChI=1/C11H10ClNO/c1-6-3-7(2)10-8(4-6)9(5-14)11(12)13-10/h3-5,13H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,3,7,12,2,4,6,8,5,9,11,10,13/rA:14nCCCCCCCCCNClCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s5s9;s9;s8;d12;s4;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H10ClNO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.87417 |
Area: | 367.736 |
Solvation: | -2.31924 |
Coulombic: | -18.8196 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 207.656 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.08 |
LogP (Chemaxon): | 3.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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