Chemical ID: 6321914

CC(C(=O)NN=Cc1ccc(c(c1)Cl)Cl)Oc2ccc(cc2Cl)Cl
Chemical ID:
6321914
Name [?]:
2-(2,4-dichlorophenoxy)-N-[(3,4-dichlorophenyl)methyleneamino]propanamide
SMILES [?]:
CC(C(=O)NN=Cc1ccc(c(c1)Cl)Cl)Oc2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C16H12Cl4N2O2/c1-9(24-15-5-3-11(17)7-14(15)20)16(23)22-21-8-10-2-4-12(18)13(19)6-10/h2-9H,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,9,19,10,18,13,21,7,2,8,20,11,12,22,17,3,24,15,14,23,6,5,4,16/rA:24cCCCONNCCCCCCCClClOCCCCCCClCl/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s12;s11;s2;s16;s17;d18;s19;d20;d17s21;s22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12Cl4N2O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:9.64897
Area:606.918
Solvation:-5.52397
Coulombic:-27.4734
Bond Count [?]
All:25
Single:17
Double:8
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:406.09
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.69
LogP (Chemaxon):5.63

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