Chemical ID: 4599683

CCCCc1c2c(c(c(n1)Cl)C#N)CCCC2
Chemical ID:
4599683
Name [?]:
1-butyl-3-chloro-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
SMILES [?]:
CCCCc1c2c(c(c(n1)Cl)C#N)CCCC2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H17ClN2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:9.95109
Area:440.494
Solvation:-1.06127
Coulombic:-10.5491
Bond Count [?]
All:18
Single:14
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:248.751
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.16
LogP (Chemaxon):4.25

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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