Chemical ID: 4965235

CCc1cccc2c1[nH]c(c2C=O)Cl
Chemical ID:
4965235
Name [?]:
2-chloro-7-ethyl-1H-indole-3-carbaldehyde
SMILES [?]:
CCc1cccc2c1[nH]c(c2C=O)Cl
InChi [?]:
InChI=1/C11H10ClNO/c1-2-7-4-3-5-8-9(6-14)11(12)13-10(7)8/h3-6,13H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,5,4,6,12,3,7,11,8,10,14,9,13/rA:14nCCCCCCCCNCCCOCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7d10;s11;d12;s10;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10ClNO
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.88402
Area:368.143
Solvation:-2.31956
Coulombic:-19.4194
Bond Count [?]
All:15
Single:10
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:207.656
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.11
LogP (Chemaxon):3.12

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue