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Chemical ID: 7244434
Chemical ID:
7244434
Name [?]:
2-chloro-N-methyl-N-tetralin-1-yl-acetamide
SMILES [?]:
CN(C1CCCc2c1cccc2)C(=O)CCl
InChi [?]:
InChI=1/C13H16ClNO/c1-15(13(16)9-14)12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,12H,4,6,8-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,10,5,12,6,9,4,15,7,8,3,13,16,2,14/rA:16cCNCCCCCCCCCCCOCCl/rB:s1;s2;s3;s4;s5;s6;s3s7;d8;s9;d10;d7s11;s2;d13;s13;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H16ClNO |
All Atoms: | 32 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.83262 |
Area: | 407.98 |
Solvation: | -2.36688 |
Coulombic: | -17.4971 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 237.725 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.67 |
LogP (Chemaxon): | 2.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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