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Chemical ID: 6924391
Chemical ID:
6924391
Name [?]:
N-[(2-chlorophenyl)methyl]propanamide
SMILES [?]:
CCC(=O)NCc1ccccc1Cl
InChi [?]:
InChI=1/C10H12ClNO/c1-2-10(13)12-7-8-5-3-4-6-9(8)11/h3-6H,2,7H2,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,9,10,8,11,6,7,12,3,13,5,4/rA:13nCCCONCCCCCCCCl/rB:s1;s2;d3;s3;s5;s6;s7;d8;s9;d10;d7s11;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12ClNO |
All Atoms: | 25 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.63908 |
Area: | 375.327 |
Solvation: | -1.74408 |
Coulombic: | -22.1637 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 197.661 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.3 |
LogP (Chemaxon): | 2.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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