Chemical ID: 5159442

c1cc(ccc1OCC(=O)N2CCN(CC2)C=O)Cl
Chemical ID:
5159442
Name [?]:
4-[2-(4-chlorophenoxy)acetyl]piperazine-1-carbaldehyde
SMILES [?]:
c1cc(ccc1OCC(=O)N2CCN(CC2)C=O)Cl
InChi [?]:
InChI=1/C13H15ClN2O3/c14-11-1-3-12(4-2-11)19-9-13(18)16-7-5-15(10-17)6-8-16/h1-4,10H,5-9H2
InChi Info:
AuxInfo=1/0/N:2,4,1,5,13,15,12,16,8,17,3,6,9,19,14,11,18,10,7/E:(1,2)(3,4)(5,6)(7,8)/rA:19nCCCCCCOCCONCCNCCCOCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s14;d17;s3;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H15ClN2O3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:6.2304
Area:477.944
Solvation:-5.71821
Coulombic:-37.7173
Bond Count [?]
All:20
Single:15
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:282.723
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.07
LogP (Chemaxon):0.49

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Descriptor Annotations

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