Chemical ID: 7087960

C1CN(CCN1CCC#N)C(=O)CCl
Chemical ID:
7087960
Name [?]:
3-[4-(2-chloroacetyl)piperazin-1-yl]propanenitrile
SMILES [?]:
C1CN(CCN1CCC#N)C(=O)CCl
InChi [?]:
InChI=1/C9H14ClN3O/c10-8-9(14)13-6-4-12(5-7-13)3-1-2-11/h1,3-8H2
InChi Info:
AuxInfo=1/0/N:8,9,7,1,5,2,4,13,11,14,10,6,3,12/E:(4,5)(6,7)/rA:14nCCNCCNCCCNCOCCl/rB:s1;s2;s3;s4;s1s5;s6;s7;s8;t9;s3;d11;s11;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H14ClN3O
All Atoms:28
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.63408
Area:404.357
Solvation:-3.47485
Coulombic:-21.7495
Bond Count [?]
All:14
Single:12
Double:1
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:215.68
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:-0.62
LogP (Chemaxon):-0.09

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Descriptor Annotations

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