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Chemical ID: 6385032
Chemical ID:
6385032
Name [?]:
N-cycloheptylcyclohexanecarboxamide
SMILES [?]:
C1CCCC(CC1)NC(=O)C2CCCCC2
InChi [?]:
InChI=1/C14H25NO/c16-14(12-8-4-3-5-9-12)15-13-10-6-1-2-7-11-13/h12-13H,1-11H2,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,14,13,15,7,3,12,16,6,4,11,5,9,8,10/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:16nCCCCCCCNCOCCCCCC/rB:s1;s2;s3;s4;s5;s1s6;s5;s8;d9;s9;s11;s12;s13;s14;s11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H25NO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.97134 |
Area: | 412.164 |
Solvation: | -1.33275 |
Coulombic: | -22.5883 |
Bond Count [?]
All: | 17 |
Single: | 16 |
Double: | 1 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 223.354 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.02 |
LogP (Chemaxon): | 3.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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