Chemical ID: 6318526

Cc1c(c2ccccc2[nH]1)C=C(C#N)C(=O)NC3CCCCC3
Chemical ID:
6318526
Name [?]:
2-cyano-N-cyclohexyl-3-(2-methyl-1H-indol-3-yl)-prop-2-enamide
SMILES [?]:
Cc1c(c2ccccc2[nH]1)C=C(C#N)C(=O)NC3CCCCC3
InChi [?]:
InChI=1/C19H21N3O/c1-13-17(16-9-5-6-10-18(16)21-13)11-14(12-20)19(23)22-15-7-3-2-4-8-15/h5-6,9-11,15,21H,2-4,7-8H2,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,6,7,19,23,5,8,11,13,2,12,18,4,3,9,15,14,10,17,16/E:(3,4)(7,8)/rA:23nCCCCCCCCCNCCCNCONCCCCCC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s3;w11;s12;t13;s12;d15;s15;s17;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H21N3O
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.8882
Area:522.433
Solvation:-2.17262
Coulombic:-37.2804
Bond Count [?]
All:25
Single:18
Double:6
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:307.39
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.48
LogP (Chemaxon):3.38

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