Chemical ID: 4772872

CC(C)Oc1ccccc1C(=O)N
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

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Descriptor Annotations

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