ChemDB: Chemical Search
Download
Chemical ID: 5603525
Chemical ID:
5603525
Name [?]:
N-(2-oxoindolin-3-ylidene)aminoheptanamide
SMILES [?]:
CCCCCCC(=O)NN=C1c2ccccc2NC1=O
InChi [?]:
InChI=1/C15H19N3O2/c1-2-3-4-5-10-13(19)17-18-14-11-8-6-7-9-12(11)16-15(14)20/h6-9H,2-5,10H2,1H3,(H,17,19)(H,16,18,20)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,14,15,13,16,6,12,17,7,11,19,18,9,10,8,20/rA:20nCCCCCCCONNCCCCCCCNCO/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;w10;s11;s12;d13;s14;d15;d12s16;s17;s11s18;d19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H19N3O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.60351 |
Area: | 504.355 |
Solvation: | -4.00537 |
Coulombic: | -40.7188 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 273.33 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.67 |
LogP (Chemaxon): | 3.12 |
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 |
---|