ChemDB: Chemical Search
Download
Chemical ID: 6618452
Chemical ID:
6618452
Name [?]:
N-(4-amino-2-chloro-phenyl)butanamide
SMILES [?]:
CCCC(=O)Nc1ccc(cc1Cl)N
InChi [?]:
InChI=1/C10H13ClN2O/c1-2-3-10(14)13-9-5-4-7(12)6-8(9)11/h4-6H,2-3,12H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,3,9,8,11,10,12,7,4,13,14,6,5/rA:14nCCCCONCCCCCCClN/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s12;s10;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13ClN2O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.09524 |
Area: | 392.704 |
Solvation: | -1.72236 |
Coulombic: | -37.1625 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 212.676 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 1.48 |
LogP (Chemaxon): | 1.48 |
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 |
---|