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Chemical ID: 4186121
Chemical ID:
4186121
Name [?]:
2-(2-methylpropylidene)-N-(1,2,4-triazol-4-yl)cyclohexan-1-imine
SMILES [?]:
CC(C)C=C1CCCCC1=Nn2cnnc2
InChi [?]:
InChI=1/C12H18N4/c1-10(2)7-11-5-3-4-6-12(11)15-16-8-13-14-9-16/h7-10H,3-6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,7,8,6,9,4,13,16,2,5,10,14,15,11,12/E:(1,2)(8,9)(13,14)/rA:16nCCCCCCCCCCNNCNNC/rB:s1;s2;s2;w4;s5;s6;s7;s8;s5s9;w10;s11;s12;d13;s14;s12d15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H18N4 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.9182 |
Area: | 385.341 |
Solvation: | -1.71532 |
Coulombic: | -9.37499 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 218.298 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.71 |
LogP (Chemaxon): | 1.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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