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Chemical ID: 6631944
Chemical ID:
6631944
Name [?]:
N-[(3-allyl-2-hydroxy-phenyl)methyleneaminocarbamoylmethyl]-2-chloro-benzamide
SMILES [?]:
C=CCc1cccc(c1O)C=NNC(=O)CNC(=O)c2ccccc2Cl
InChi [?]:
InChI=1/C19H18ClN3O3/c1-2-6-13-7-5-8-14(18(13)25)11-22-23-17(24)12-21-19(26)15-9-3-4-10-16(15)20/h2-5,7-11,25H,1,6,12H2,(H,21,26)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,22,23,6,3,5,7,21,24,11,16,4,8,20,25,14,9,18,26,17,12,13,15,10,19/rA:26nCCCCCCCCCOCNNCOCNCOCCCCCCCl/rB:d1;s2;s3;s4;d5;s6;d7;d4s8;s9;s8;w11;s12;s13;d14;s14;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18ClN3O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2919 |
Area: | 604.834 |
Solvation: | -4.82897 |
Coulombic: | -59.0706 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 371.817 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 4.46 |
LogP (Chemaxon): | 3.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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