Chemical ID: 6342670

c1ccc2c(c1)CCN(C2)C(=O)CCCCl
Chemical ID:
6342670
Name [?]:
4-chloro-1-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one
SMILES [?]:
c1ccc2c(c1)CCN(C2)C(=O)CCCCl
InChi [?]:
InChI=1/C13H16ClNO/c14-8-3-6-13(16)15-9-7-11-4-1-2-5-12(11)10-15/h1-2,4-5H,3,6-10H2
InChi Info:
AuxInfo=1/0/N:1,2,14,6,3,13,7,15,8,10,5,4,11,16,9,12/rA:16nCCCCCCCCNCCOCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4s9;s9;d11;s11;s13;s14;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16ClNO
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.26342
Area:427.865
Solvation:-2.4332
Coulombic:-16.7479
Bond Count [?]
All:17
Single:13
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:237.725
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.36
LogP (Chemaxon):2.24

Name Annotations

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Descriptor Annotations

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