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Chemical ID: 6422458
Chemical ID:
6422458
Name [?]:
(1-phenylpyrazol-4-yl)methanamine
SMILES [?]:
c1ccc(cc1)n2cc(cn2)CN
InChi [?]:
InChI=1/C10H11N3/c11-6-9-7-12-13(8-9)10-4-2-1-3-5-10/h1-5,7-8H,6,11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,12,10,8,9,4,13,11,7/E:(2,3)(4,5)/rA:13nCCCCCCNCCCNCN/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s7d10;s9;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11N3 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.52105 |
Area: | 350.161 |
Solvation: | -2.23297 |
Coulombic: | -16.6329 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 173.215 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 1.2 |
LogP (Chemaxon): | 1.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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