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Chemical ID: 6528913
Chemical ID:
6528913
Name [?]:
N-(3,5-dimethoxyphenyl)cyclopropanecarboxamide
SMILES [?]:
COc1cc(cc(c1)OC)NC(=O)C2CC2
InChi [?]:
InChI=1/C12H15NO3/c1-15-10-5-9(6-11(7-10)16-2)13-12(14)8-3-4-8/h5-8H,3-4H2,1-2H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,10,15,16,4,6,8,14,5,3,7,12,11,13,2,9/E:(1,2)(3,4)(5,6)(10,11)(15,16)/rA:16nCOCCCCCCOCNCOCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s5;s11;d12;s12;s14;s14s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H15NO3 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.80647 |
Area: | 408.053 |
Solvation: | -4.39486 |
Coulombic: | -33.2597 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 221.252 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.31 |
LogP (Chemaxon): | 1.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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