Chemical ID: 6658663

Cc1ccccc1NCCC#N
Chemical ID:
6658663
Name [?]:
3-(o-tolylamino)propanenitrile
SMILES [?]:
Cc1ccccc1NCCC#N
InChi [?]:
InChI=1/C10H12N2/c1-9-5-2-3-6-10(9)12-8-4-7-11/h2-3,5-6,12H,4,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,10,3,6,11,9,2,7,12,8/rA:12nCCCCCCCNCCCN/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;t11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12N2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:7.19787
Area:354.659
Solvation:-1.66861
Coulombic:-14.8096
Bond Count [?]
All:12
Single:8
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:160.216
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.97
LogP (Chemaxon):2.15

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Descriptor Annotations

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