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Chemical ID: 6350571
Chemical ID:
6350571
Name [?]:
3-chloro-N-(2-pyridylmethyl)propanamide
SMILES [?]:
c1ccnc(c1)CNC(=O)CCCl
InChi [?]:
InChI=1/C9H11ClN2O/c10-5-4-9(13)12-7-8-3-1-2-6-11-8/h1-3,6H,4-5,7H2,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,11,12,3,7,5,9,13,4,8,10/rA:13nCCCNCCCNCOCCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H11ClN2O |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.2953 |
Area: | 389.731 |
Solvation: | -2.44797 |
Coulombic: | -25.2338 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 198.649 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 0.85 |
LogP (Chemaxon): | 0.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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