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Chemical ID: 5044185
Chemical ID:
5044185
Name [?]:
2-(1-methyl-2-phenyl-ethyl)amino-2-phenyl-acetonitrile
SMILES [?]:
CC(Cc1ccccc1)NC(C#N)c2ccccc2
InChi [?]:
InChI=1/C17H18N2/c1-14(12-15-8-4-2-5-9-15)19-17(13-18)16-10-6-3-7-11-16/h2-11,14,17,19H,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,17,6,8,16,18,5,9,15,19,3,12,2,4,14,11,13,10/E:(4,5)(6,7)(8,9)(10,11)/rA:19cCCCCCCCCCNCCNCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2;s10;s11;t12;s11;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18N2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.32475 |
Area: | 455.053 |
Solvation: | -2.05158 |
Coulombic: | -15.7832 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 250.338 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.22 |
LogP (Chemaxon): | 4.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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