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Chemical ID: 6650327
Chemical ID:
6650327
Name [?]:
N-[(3-chlorophenyl)methyleneaminocarbamoylmethyl]-3-methyl-benzamide
SMILES [?]:
Cc1cccc(c1)C(=O)NCC(=O)NN=Cc2cccc(c2)Cl
InChi [?]:
InChI=1/C17H16ClN3O2/c1-12-4-2-6-14(8-12)17(23)19-11-16(22)21-20-10-13-5-3-7-15(18)9-13/h2-10H,11H2,1H3,(H,19,23)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,4,19,3,18,5,20,7,22,16,11,2,17,6,21,12,8,23,10,15,14,13,9/rA:23nCCCCCCCCONCCONNCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16ClN3O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1349 |
Area: | 559.608 |
Solvation: | -3.85527 |
Coulombic: | -42.1018 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 329.781 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.23 |
LogP (Chemaxon): | 3.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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