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Chemical ID: 7196052
Chemical ID:
7196052
Name [?]:
1-[(3-fluorophenyl)methyl]pyrazol-4-amine
SMILES [?]:
c1cc(cc(c1)F)Cn2cc(cn2)N
InChi [?]:
InChI=1/C10H10FN3/c11-9-3-1-2-8(4-9)6-14-7-10(12)5-13-14/h1-5,7H,6,12H2
InChi Info:
AuxInfo=1/0/N:1,2,6,4,12,8,10,3,5,11,7,14,13,9/rA:14nCCCCCCFCNCCCNN/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;d10;s11;s9d12;s11;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H10FN3 |
All Atoms: | 24 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.0793 |
Area: | 356.119 |
Solvation: | -2.82366 |
Coulombic: | -24.9485 |
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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