Chemical ID: 5327676

CCOC(=O)CC(=O)Nc1ccccc1Cl
Chemical ID:
5327676
Name [?]:
ethyl 3-(2-chlorophenyl)amino-3-oxo-propanoate
SMILES [?]:
CCOC(=O)CC(=O)Nc1ccccc1Cl
InChi [?]:
InChI=1/C11H12ClNO3/c1-2-16-11(15)7-10(14)13-9-6-4-3-5-8(9)12/h3-6H,2,7H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,13,12,14,11,6,15,10,7,4,16,9,8,5,3/rA:16nCCOCOCCONCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12ClNO3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.14809
Area:426.95
Solvation:-3.52566
Coulombic:-37.2327
Bond Count [?]
All:16
Single:11
Double:5
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:241.671
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.85
LogP (Chemaxon):1.47

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Descriptor Annotations

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