Chemical ID: 5242037

CCOC1=NC2CCCCC2N1
Chemical ID:
5242037
Name [?]:
2-ethoxy-3a,4,5,6,7,7a-hexahydro-3H-benzoimidazole
SMILES [?]:
CCOC1=NC2CCCCC2N1
InChi [?]:
InChI=1/C9H16N2O/c1-2-12-9-10-7-5-3-4-6-8(7)11-9/h7-8H,2-6H2,1H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,8,9,7,10,6,11,4,5,12,3/E:(3,4)(5,6)(7,8)(10,11)/rA:12cCCOCNCCCCCCN/rB:s1;s2;s3;d4;s5;s6;s7;s8;s9;s6s10;s4s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H16N2O
All Atoms:12
Heavy Atoms:12
Chiral Atoms:2
ZAP Information [?]
Total:6.44648
Area:331.943
Solvation:-1.85209
Coulombic:-27.5264
Bond Count [?]
All:13
Single:12
Double:1
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:168.236
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.93
LogP (Chemaxon):1.92

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Descriptor Annotations

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