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Chemical ID: 5443752
Chemical ID:
5443752
Name [?]:
N-[5-[(3-chlorophenyl)methyl]thiazol-2-yl]cyclopropanecarboxamide
SMILES [?]:
c1cc(cc(c1)Cl)Cc2cnc(s2)NC(=O)C3CC3
InChi [?]:
InChI=1/C14H13ClN2OS/c15-11-3-1-2-9(6-11)7-12-8-16-14(19-12)17-13(18)10-4-5-10/h1-3,6,8,10H,4-5,7H2,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,18,19,4,8,10,3,17,5,9,15,12,7,11,14,16,13/E:(4,5)/rA:19nCCCCCCClCCCNCSNCOCCC/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s10;d11;s9s12;s12;s14;d15;s15;s17;s17s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H13ClN2OS |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.481 |
Area: | 495.754 |
Solvation: | -2.91285 |
Coulombic: | -26.2325 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 292.785 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.06 |
LogP (Chemaxon): | 3.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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