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Chemical ID: 4320975
Chemical ID:
4320975
Name [?]:
2-(4-chlorophenyl)-N-(3-methoxypropyl)acetamide
SMILES [?]:
COCCCNC(=O)Cc1ccc(cc1)Cl
InChi [?]:
InChI=1/C12H16ClNO2/c1-16-8-2-7-14-12(15)9-10-3-5-11(13)6-4-10/h3-6H,2,7-9H2,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,4,11,15,12,14,5,3,9,10,13,7,16,6,8,2/E:(3,4)(5,6)/rA:16nCOCCCNCOCCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16ClNO2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.74153 |
Area: | 456.607 |
Solvation: | -3.67365 |
Coulombic: | -29.0832 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 241.714 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.03 |
LogP (Chemaxon): | 1.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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