Chemical ID: 7245142

CC(c1ccc2c(c1)CCCC2)NC(=O)CCl
Chemical ID:
7245142
Name [?]:
2-chloro-N-(1-tetralin-2-ylethyl)acetamide
SMILES [?]:
CC(c1ccc2c(c1)CCCC2)NC(=O)CCl
InChi [?]:
InChI=1/C14H18ClNO/c1-10(16-14(17)9-15)12-7-6-11-4-2-3-5-13(11)8-12/h6-8,10H,2-5,9H2,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,11,10,12,9,5,4,8,16,2,6,3,7,14,17,13,15/rA:17cCCCCCCCCCCCCNCOCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s6s11;s2;s13;d14;s14;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18ClNO
All Atoms:35
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:8.69633
Area:444.27
Solvation:-2.41041
Coulombic:-21.842
Bond Count [?]
All:18
Single:14
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:251.752
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.65
LogP (Chemaxon):3.22

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue