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Chemical ID: 4943396
Chemical ID:
4943396
Name [?]:
N-(2-chloro-3-methyl-phenyl)-3-nitrido-propanamide
SMILES [?]:
Cc1cccc(c1Cl)NC(=O)CC#N
InChi [?]:
InChI=1/C10H9ClN2O/c1-7-3-2-4-8(10(7)11)13-9(14)5-6-12/h2-4H,5H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,4,3,5,12,13,2,6,10,7,8,14,9,11/rA:14nCCCCCCCClNCOCCN/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;t13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H9ClN2O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.7164 |
Area: | 382.299 |
Solvation: | -2.84108 |
Coulombic: | -22.286 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 208.644 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.45 |
LogP (Chemaxon): | 1.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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