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Chemical ID: 6347841
Chemical ID:
6347841
Name [?]:
3-chloro-N-phenethyl-propanamide
SMILES [?]:
c1ccc(cc1)CCNC(=O)CCCl
InChi [?]:
InChI=1/C11H14ClNO/c12-8-6-11(14)13-9-7-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,12,7,13,8,4,10,14,9,11/E:(2,3)(4,5)/rA:14nCCCCCCCCNCOCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14ClNO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.44637 |
Area: | 417.63 |
Solvation: | -1.99438 |
Coulombic: | -22.0775 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 211.688 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.17 |
LogP (Chemaxon): | 2.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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