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Chemical ID: 4523030
Chemical ID:
4523030
Name [?]:
dibenzylaminoformonitrile
SMILES [?]:
c1ccc(cc1)CN(Cc2ccccc2)C#N
InChi [?]:
InChI=1/C15H14N2/c16-13-17(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10H,11-12H2
InChi Info:
AuxInfo=1/0/N:1,13,2,6,12,14,3,5,11,15,7,9,16,4,10,17,8/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(14,15)/rA:17nCCCCCCCNCCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;t16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14N2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.14847 |
Area: | 426.251 |
Solvation: | -1.5078 |
Coulombic: | -11.6394 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 222.285 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.88 |
LogP (Chemaxon): | 3.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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