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Chemical ID: 5467990
Chemical ID:
5467990
Name [?]:
N-[5-[(2-chlorophenyl)methyl]thiazol-2-yl]cyclopropanecarboxamide
SMILES [?]:
c1ccc(c(c1)Cc2cnc(s2)NC(=O)C3CC3)Cl
InChi [?]:
InChI=1/C14H13ClN2OS/c15-12-4-2-1-3-10(12)7-11-8-16-14(19-11)17-13(18)9-5-6-9/h1-4,8-9H,5-7H2,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,17,18,7,9,16,5,8,4,14,11,19,10,13,15,12/E:(5,6)/rA:19nCCCCCCCCCNCSNCOCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;s8s11;s11;s13;d14;s14;s16;s16s17;s4;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H13ClN2OS |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.0188 |
Area: | 476.825 |
Solvation: | -2.90184 |
Coulombic: | -26.3426 |
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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