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Chemical ID: 6528323
Chemical ID:
6528323
Name [?]:
N-tetralin-1-ylcyclopropanecarboxamide
SMILES [?]:
c1ccc2c(c1)CCCC2NC(=O)C3CC3
InChi [?]:
InChI=1/C14H17NO/c16-14(11-8-9-11)15-13-7-3-5-10-4-1-2-6-12(10)13/h1-2,4,6,11,13H,3,5,7-9H2,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,8,6,7,3,9,15,16,5,14,4,10,12,11,13/E:(8,9)/rA:16cCCCCCCCCCCNCOCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4s9;s10;s11;d12;s12;s14;s14s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H17NO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.17231 |
Area: | 393.432 |
Solvation: | -1.66349 |
Coulombic: | -22.3307 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 215.291 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.5 |
LogP (Chemaxon): | 2.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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