ChemDB: Chemical Search
Download
Chemical ID: 5044033
Chemical ID:
5044033
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)CN3C(N2C(=O)CCCl)CCC3=O
InChi [?]:
InChI=1/C14H15ClN2O2/c15-8-7-14(19)17-11-4-2-1-3-10(11)9-16-12(17)5-6-13(16)18/h1-4,12H,5-9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,16,17,13,14,7,5,4,9,18,11,15,8,10,19,12/rA:19cCCCCCCCNCNCOCCClCCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4s9;s10;d11;s11;s13;s14;s9;s16;s8s17;d18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15ClN2O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.05987 |
Area: | 440.117 |
Solvation: | -2.94305 |
Coulombic: | -30.8924 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 278.734 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 1.49 |
LogP (Chemaxon): | 1.21 |
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 |
---|