Chemical ID: 3994833

CCN(CC)C(=O)CCCCl
Chemical ID:
3994833
Name [?]:
4-chloro-N,N-diethyl-butanamide
SMILES [?]:
CCN(CC)C(=O)CCCCl
InChi [?]:
InChI=1/C8H16ClNO/c1-3-10(4-2)8(11)6-5-7-9/h3-7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,9,8,10,6,11,3,7/E:(1,2)(3,4)/rA:11nCCNCCCOCCCCl/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H16ClNO
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:7.20562
Area:369.173
Solvation:-2.0237
Coulombic:-15.807
Bond Count [?]
All:10
Single:9
Double:1
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:177.671
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.65
LogP (Chemaxon):1.17

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Experimental Annotations

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Descriptor Annotations

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