Chemical ID: 6381226

CC(C(=O)NN=Cc1cccc(c1)Cl)Oc2ccc(cc2Cl)Cl
Chemical ID:
6381226
Name [?]:
N-[(3-chlorophenyl)methyleneamino]-2-(2,4-dichlorophenoxy)-propanamide
SMILES [?]:
CC(C(=O)NN=Cc1cccc(c1)Cl)Oc2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C16H13Cl3N2O2/c1-10(23-15-6-5-13(18)8-14(15)19)16(22)21-20-9-11-3-2-4-12(17)7-11/h2-10H,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,10,9,11,18,17,13,20,7,2,8,12,19,21,16,3,14,23,22,6,5,4,15/rA:23cCCCONNCCCCCCCClOCCCCCCClCl/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s12;s2;s15;s16;d17;s18;d19;d16s20;s21;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13Cl3N2O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:9.14326
Area:579.615
Solvation:-5.34713
Coulombic:-27.5928
Bond Count [?]
All:24
Single:16
Double:8
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:371.645
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.07
LogP (Chemaxon):5.11

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