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Chemical ID: 4683982
Chemical ID:
4683982
Name [?]:
1-(benzotriazol-1-ylmethyl)-N-(cyclohexylidenemethyl)pyridin-2-imine
SMILES [?]:
c1ccc2c(c1)nnn2Cn3ccccc3=NC=C4CCCCC4
InChi [?]:
InChI=1/C19H21N5/c1-2-8-16(9-3-1)14-20-19-12-6-7-13-23(19)15-24-18-11-5-4-10-17(18)21-22-24/h4-7,10-14H,1-3,8-9,15H2
InChi Info:
AuxInfo=1/0/N:22,21,23,1,2,14,13,20,24,6,3,15,12,18,10,19,5,4,16,17,7,8,11,9/E:(2,3)(8,9)/rA:24nCCCCCCNNNCNCCCCCNCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s9;s10;s11;d12;s13;d14;s11s15;w16;s17;d18;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21N5 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2778 |
Area: | 513.362 |
Solvation: | -2.55622 |
Coulombic: | -17.669 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 319.404 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.26 |
LogP (Chemaxon): | 4.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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