Chemical ID: 4965256

CC(C)c1ccc2c(c1)c(c([nH]2)Cl)C=O
Chemical ID:
4965256
Name [?]:
2-chloro-5-isopropyl-1H-indole-3-carbaldehyde
SMILES [?]:
CC(C)c1ccc2c(c1)c(c([nH]2)Cl)C=O
InChi [?]:
InChI=1/C12H12ClNO/c1-7(2)8-3-4-11-9(5-8)10(6-15)12(13)14-11/h3-7,14H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,5,6,9,14,2,4,8,10,7,11,13,12,15/E:(1,2)/rA:15nCCCCCCCCCCCNClCO/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s8;d10;s7s11;s11;s10;d14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H12ClNO
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.50455
Area:392.453
Solvation:-2.30679
Coulombic:-19.5572
Bond Count [?]
All:16
Single:11
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:221.683
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.83
LogP (Chemaxon):3.45

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