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Chemical ID: 6362135
Chemical ID:
6362135
Name [?]:
N-(4-chloro-2-fluoro-phenyl)-3-nitrido-propanamide
SMILES [?]:
c1cc(c(cc1Cl)F)NC(=O)CC#N
InChi [?]:
InChI=1/C9H6ClFN2O/c10-6-1-2-8(7(11)5-6)13-9(14)3-4-12/h1-2,5H,3H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,12,13,5,6,4,3,10,7,8,14,9,11/rA:14nCCCCCCClFNCOCCN/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;d10;s10;s12;t13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H6ClFN2O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.91985 |
Area: | 377.923 |
Solvation: | -3.52821 |
Coulombic: | -25.3497 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 212.608 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.38 |
LogP (Chemaxon): | 1.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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