ChemDB: Chemical Search
Download
Chemical ID: 4772757
Chemical ID:
4772757
Name [?]:
2-but-3-enoxybenzamide
SMILES [?]:
C=CCCOc1ccccc1C(=O)N
InChi [?]:
InChI=1/C11H13NO2/c1-2-3-8-14-10-7-5-4-6-9(10)11(12)13/h2,4-7H,1,3,8H2,(H2,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,3,9,8,10,7,4,11,6,12,14,13,5/rA:14nCCCCOCCCCCCCON/rB:d1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;d12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13NO2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.02203 |
Area: | 376.973 |
Solvation: | -3.4023 |
Coulombic: | -34.8902 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 191.226 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.81 |
LogP (Chemaxon): | 1.44 |
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 |
---|