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Chemical ID: 6299420
Chemical ID:
6299420
Name [?]:
1-[(2-fluorophenyl)methyl]pyrazol-4-amine
SMILES [?]:
c1ccc(c(c1)Cn2cc(cn2)N)F
InChi [?]:
InChI=1/C10H10FN3/c11-10-4-2-1-3-8(10)6-14-7-9(12)5-13-14/h1-5,7H,6,12H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,11,7,9,5,10,4,14,13,12,8/rA:14nCCCCCCCNCCCNNF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s10;s8d11;s10;s4;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H10FN3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.66443 |
Area: | 352.848 |
Solvation: | -3.15677 |
Coulombic: | -24.7769 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 191.205 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 1.98 |
LogP (Chemaxon): | 1.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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