ChemDB: Chemical Search
Download
Chemical ID: 6741068
Chemical ID:
6741068
Name [?]:
2-[1-[(3-chlorophenyl)carbamoylmethyl]cyclopentyl]acetate
SMILES [?]:
c1cc(cc(c1)Cl)NC(=O)CC2(CCCC2)CC(=O)[O-]
InChi [?]:
InChI=1/C15H18ClNO3/c16-11-4-3-5-12(8-11)17-13(18)9-15(10-14(19)20)6-1-2-7-15/h3-5,8H,1-2,6-7,9-10H2,(H,17,18)(H,19,20)/p-1
InChi Info:
AuxInfo=1/1/N:14,15,1,6,2,13,16,4,11,17,5,3,9,18,12,7,8,10,19,20/E:(1,2)(6,7)(19,20)/rA:20nCCCCCCClNCOCCCCCCCCOO-/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;s12;s13;s14;s12s15;s12;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17ClNO3- |
All Atoms: | 37 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -31.5387 |
Area: | 477.523 |
Solvation: | -43.4767 |
Coulombic: | -20.309 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 294.753 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.06 |
LogP (Chemaxon): | 3.13 |
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 |
---|