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Chemical ID: 6049264
Chemical ID:
6049264
Name [?]:
2-(3-methoxyphenyl)acetamidine
SMILES [?]:
COc1cccc(c1)CC(=N)N
InChi [?]:
InChI=1/C9H12N2O/c1-12-8-4-2-3-7(5-8)6-9(10)11/h2-5H,6H2,1H3,(H3,10,11)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,8,9,7,3,10,11,12,2/E:(10,11)/rA:12nCOCCCCCCCCNN/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;w10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H12N2O |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.54861 |
Area: | 335.551 |
Solvation: | -2.84017 |
Coulombic: | -34.8911 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 164.204 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 1.36 |
LogP (Chemaxon): | 0.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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