Chemical ID: 6631763

c1ccc(c(c1)C(=O)NCC(=O)NN=Cc2cccc(c2Cl)Cl)Cl
Chemical ID:
6631763
Name [?]:
2-chloro-N-[(2,3-dichlorophenyl)methyleneaminocarbamoylmethyl]benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)NCC(=O)NN=Cc2cccc(c2Cl)Cl)Cl
InChi [?]:
InChI=1/C16H12Cl3N3O2/c17-12-6-2-1-5-11(12)16(24)20-9-14(23)22-21-8-10-4-3-7-13(18)15(10)19/h1-8H,9H2,(H,20,24)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,18,17,6,3,19,15,10,16,5,4,20,11,21,7,24,23,22,9,14,13,12,8/rA:24nCCCCCCCONCCONNCCCCCCCClClCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s21;s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12Cl3N3O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.5064
Area:582.552
Solvation:-4.05739
Coulombic:-42.1569
Bond Count [?]
All:25
Single:16
Double:9
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:384.644
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.03
LogP (Chemaxon):3.72

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