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Chemical ID: 4951729
Chemical ID:
4951729
Name [?]:
1,3-dihydrobenzoimidazol-2-imine
SMILES [?]:
c1ccc2c(c1)[nH]c(=N)[nH]2
InChi [?]:
InChI=1/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,8,9,7,10/E:(1,2)(3,4)(5,6)(9,10)/rA:10nCCCCCCNCNN/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s4s8;/rC:;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H7N3 |
All Atoms: | 10 |
Heavy Atoms: | 10 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.45273 |
Area: | 278.826 |
Solvation: | -1.51791 |
Coulombic: | -34.5507 |
Bond Count [?]
All: | 11 |
Single: | 7 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 133.151 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.15 |
LogP (Chemaxon): | 2.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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