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Chemical ID: 5551102
Chemical ID:
5551102
Name [?]:
5,6-dichloro-N-phenethyl-pyridine-3-carboxamide
SMILES [?]:
c1ccc(cc1)CCNC(=O)c2cc(c(nc2)Cl)Cl
InChi [?]:
InChI=1/C14H12Cl2N2O/c15-12-8-11(9-18-13(12)16)14(19)17-7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,7,8,13,17,4,12,14,15,10,19,18,9,16,11/E:(2,3)(4,5)/rA:19nCCCCCCCCNCOCCCCNCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s14;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H12Cl2N2O |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2336 |
Area: | 497.293 |
Solvation: | -2.19868 |
Coulombic: | -29.2232 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 295.163 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.38 |
LogP (Chemaxon): | 3.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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