Chemical ID: 6698781

COC(=O)Nc1[nH]c2ccccc2[nH+]1
Chemical ID:
6698781
Name [?]:
methyl 1,3-dihydrobenzoimidazol-2-ylaminoformate
SMILES [?]:
COC(=O)Nc1[nH]c2ccccc2[nH+]1
InChi [?]:
InChI=1/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)/p+1
InChi Info:
AuxInfo=1/1/N:1,10,11,9,12,8,13,6,3,7,14,5,4,2/E:(2,3)(4,5)(6,7)(10,11)/rA:14nCOCONCNCCCCCCN+/rB:s1;s2;d3;s3;s5;s6;s7;s8;d9;s10;d11;d8s12;d6s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10N3O2+
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:-23.5779
Area:356.105
Solvation:-32.4805
Coulombic:-38.87
Bond Count [?]
All:15
Single:10
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:192.195
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.36
LogP (Chemaxon):2.41

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Descriptor Annotations

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