Chemical ID: 4584512

c1ccc2c(c1)ccnc2C#N
Chemical ID:
4584512
Name [?]:
isoquinoline-1-carbonitrile
SMILES [?]:
c1ccc2c(c1)ccnc2C#N
InChi [?]:
InChI=1/C10H6N2/c11-7-10-9-4-2-1-3-8(9)5-6-12-10/h1-6H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,7,8,11,5,4,10,12,9/rA:12nCCCCCCCCNCCN/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;t11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H6N2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.6199
Area:314.969
Solvation:-1.25432
Coulombic:-10.8446
Bond Count [?]
All:13
Single:7
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:154.168
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.85
LogP (Chemaxon):1.95

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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