Chemical ID: 5044185

CC(Cc1ccccc1)NC(C#N)c2ccccc2
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

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Descriptor Annotations

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