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Chemical ID: 5159087
Chemical ID:
5159087
Name [?]:
2-chloro-N-[2-(cyanomethyl)phenyl]-acetamide
SMILES [?]:
c1ccc(c(c1)CC#N)NC(=O)CCl
InChi [?]:
InChI=1/C10H9ClN2O/c11-7-10(14)13-9-4-2-1-3-8(9)5-6-12/h1-4H,5,7H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,8,13,5,4,11,14,9,10,12/rA:14nCCCCCCCCNNCOCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;t8;s4;s10;d11;s11;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H9ClN2O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.546 |
Area: | 390.395 |
Solvation: | -3.21387 |
Coulombic: | -22.2512 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 208.644 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.05 |
LogP (Chemaxon): | 1.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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