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Chemical ID: 6320962
Chemical ID:
6320962
Name [?]:
N-(3-chloro-2-methyl-phenyl)prop-2-enamide
SMILES [?]:
Cc1c(cccc1Cl)NC(=O)C=C
InChi [?]:
InChI=1/C10H10ClNO/c1-3-10(13)12-9-6-4-5-8(11)7(9)2/h3-6H,1H2,2H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:13,1,12,5,6,4,2,7,3,10,8,9,11/rA:13nCCCCCCCClNCOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;d12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H10ClNO |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.53241 |
Area: | 363.856 |
Solvation: | -1.564 |
Coulombic: | -23.0247 |
Bond Count [?]
All: | 13 |
Single: | 8 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 195.645 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.42 |
LogP (Chemaxon): | 2.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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