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Chemical ID: 4683040
Chemical ID:
4683040
Name [?]:
2-chloro-N-(1-phenylethyl)acetamide
SMILES [?]:
CC(c1ccccc1)NC(=O)CCl
InChi [?]:
InChI=1/C10H12ClNO/c1-8(12-10(13)7-11)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,8,12,2,3,10,13,9,11/E:(3,4)(5,6)/rA:13cCCCCCCCCNCOCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s10;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12ClNO |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.10113 |
Area: | 379.107 |
Solvation: | -2.37655 |
Coulombic: | -22.0407 |
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: | 2.18 |
LogP (Chemaxon): | 1.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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