ChemDB: Chemical Search
Download
Chemical ID: 6592013
Chemical ID:
6592013
Name [?]:
2-(1-butyl-2-oxo-indolin-3-ylidene)-3-nitrido-propanamide
SMILES [?]:
CCCCN1c2ccccc2C(=C(C#N)C(=O)N)C1=O
InChi [?]:
InChI=1/C15H15N3O2/c1-2-3-8-18-12-7-5-4-6-10(12)13(15(18)20)11(9-16)14(17)19/h4-7H,2-3,8H2,1H3,(H2,17,19)
InChi Info:
AuxInfo=1/1/N:1,2,3,9,8,10,7,4,14,11,13,6,12,16,19,15,18,5,17,20/rA:20nCCCCNCCCCCCCCCNCONCO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;w12;s13;t14;s13;d16;s16;s5s12;d19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15N3O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.26933 |
Area: | 461.543 |
Solvation: | -3.26924 |
Coulombic: | -44.6215 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 269.299 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.76 |
LogP (Chemaxon): | 0.99 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|