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Chemical ID: 5496656
Chemical ID:
5496656
Name [?]:
2-chloro-N-(p-tolyl)propanamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)C(C)Cl
InChi [?]:
InChI=1/C10H12ClNO/c1-7-3-5-9(6-4-7)12-10(13)8(2)11/h3-6,8H,1-2H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,12,3,7,4,6,2,11,5,9,13,8,10/E:(3,4)(5,6)/rA:13cCCCCCCCNCOCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12ClNO |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.35194 |
Area: | 374.429 |
Solvation: | -2.00877 |
Coulombic: | -21.5186 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 197.661 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.24 |
LogP (Chemaxon): | 2.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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