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Chemical ID: 7245142
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
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Experimental Annotations
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Descriptor Annotations
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