Chemical ID: 4296067

CC(C(=O)NN=Cc1cccc(c1)OC)Oc2cccc(c2)Cl
Chemical ID:
4296067
Name [?]:
2-(3-chlorophenoxy)-N-[(3-methoxyphenyl)methyleneamino]propanamide
SMILES [?]:
CC(C(=O)NN=Cc1cccc(c1)OC)Oc2cccc(c2)Cl
InChi [?]:
InChI=1/C17H17ClN2O3/c1-12(23-16-8-4-6-14(18)10-16)17(21)20-19-11-13-5-3-7-15(9-13)22-2/h3-12H,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,15,10,19,9,20,11,18,13,22,7,2,8,21,12,17,3,23,6,5,4,14,16/rA:23cCCCONNCCCCCCCOCOCCCCCCCl/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s12;s14;s2;s16;s17;d18;s19;d20;d17s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17ClN2O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:7.7676
Area:556.162
Solvation:-6.13645
Coulombic:-34.3677
Bond Count [?]
All:24
Single:16
Double:8
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:332.781
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.74
LogP (Chemaxon):3.82

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