Chemical ID: 6045323

c1ccc(c(c1)CC#N)N
Chemical ID:
6045323
Name [?]:
2-(2-aminophenyl)acetonitrile
SMILES [?]:
c1ccc(c(c1)CC#N)N
InChi [?]:
InChI=1/C8H8N2/c9-6-5-7-3-1-2-4-8(7)10/h1-4H,5,10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,7,8,5,4,9,10/rA:10nCCCCCCCCNN/rB:s1;d2;s3;d4;d1s5;s5;s7;t8;s4;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8N2
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:5.83072
Area:298.829
Solvation:-1.64
Coulombic:-19.4924
Bond Count [?]
All:10
Single:6
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:132.163
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:0.74
LogP (Chemaxon):1.23

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Experimental Annotations

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Descriptor Annotations

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