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Chemical ID: 4767423
Chemical ID:
4767423
Name [?]:
2-cyano-1,3-dicyclohexyl-guanidine
SMILES [?]:
C1CCC(CC1)NC(=NC#N)NC2CCCCC2
InChi [?]:
InChI=1/C14H24N4/c15-11-16-14(17-12-7-3-1-4-8-12)18-13-9-5-2-6-10-13/h12-13H,1-10H2,(H2,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,16,2,6,15,17,3,5,14,18,10,4,13,8,11,9,7,12/E:(1,2)(3,4,5,6)(7,8,9,10)(12,13)(17,18)/rA:18nCCCCCCNCNCNNCCCCCC/rB:s1;s2;s3;s4;s1s5;s4;s7;d8;s9;t10;s8;s12;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H24N4 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8086 |
Area: | 461.729 |
Solvation: | -0.734583 |
Coulombic: | -35.505 |
Bond Count [?]
All: | 19 |
Single: | 17 |
Double: | 1 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 248.367 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.06 |
LogP (Chemaxon): | 3.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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