Chemical ID: 4649110

CC(C)Cc1c2c(c(c(n1)Cl)C#N)CCCC2
Chemical ID:
4649110
Name [?]:
3-chloro-1-isobutyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
SMILES [?]:
CC(C)Cc1c2c(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:9.64185
Area:427.579
Solvation:-1.04763
Coulombic:-10.509
Bond Count [?]
All:18
Single:14
Double:3
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:248.751
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.1
LogP (Chemaxon):4.19

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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