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Chemical ID: 4772872
Chemical ID:
4772872
Name [?]:
2-isopropoxybenzamide
SMILES [?]:
CC(C)Oc1ccccc1C(=O)N
InChi [?]:
InChI=1/C10H13NO2/c1-7(2)13-9-6-4-3-5-8(9)10(11)12/h3-7H,1-2H3,(H2,11,12)
InChi Info:
AuxInfo=1/1/N:1,3,8,7,9,6,2,10,5,11,13,12,4/E:(1,2)/rA:13nCCCOCCCCCCCON/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s10;d11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13NO2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.21444 |
Area: | 344.06 |
Solvation: | -3.38706 |
Coulombic: | -33.0656 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 179.216 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.71 |
LogP (Chemaxon): | 1.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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