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Chemical ID: 4682696
Chemical ID:
4682696
Name [?]:
N-(1,2,4-triazol-4-yl)-1-[4-(trifluoromethyl)phenyl]-methanimine
SMILES [?]:
c1cc(ccc1C=Nn2cnnc2)C(F)(F)F
InChi [?]:
InChI=1/C10H7F3N4/c11-10(12,13)9-3-1-8(2-4-9)5-16-17-6-14-15-7-17/h1-7H
InChi Info:
AuxInfo=1/0/N:1,5,2,4,7,10,13,6,3,14,15,16,17,11,12,8,9/E:(1,2)(3,4)(6,7)(11,12,13)(14,15)/rA:17nCCCCCCCNNCNNCCFFF/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;s9;d10;s11;s9d12;s3;s14;s14;s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H7F3N4 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.35461 |
Area: | 368.471 |
Solvation: | -2.85717 |
Coulombic: | -27.3078 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 240.185 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.9 |
LogP (Chemaxon): | 1.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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