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Chemical ID: 6631763
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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