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Chemical ID: 7244605
Chemical ID:
7244605
Name [?]:
1-(1-adamantylcarbonylamino)cyclohexane-1-carboxylic acid
SMILES [?]:
C1CCC(CC1)(C(=O)O)NC(=O)C23CC4CC(C2)CC(C4)C3
InChi [?]:
InChI=1/C18H27NO3/c20-15(19-18(16(21)22)4-2-1-3-5-18)17-9-12-6-13(10-17)8-14(7-12)11-17/h12-14H,1-11H2,(H,19,20)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,16,19,21,18,14,22,17,15,20,11,7,13,4,10,12,8,9/E:(2,3)(4,5)(6,7,8)(9,10,11)(12,13,14)(21,22)/rA:22nCCCCCCCOONCOCCCCCCCCCC/rB:s1;s2;s3;s4;s1s5;s4;d7;s7;s4;s10;d11;s11;s13;s14;s15;s16;s13s17;s17;s19;s15s20;s13s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H27NO3 |
All Atoms: | 49 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.91437 |
Area: | 451.103 |
Solvation: | -2.3632 |
Coulombic: | -49.3096 |
Bond Count [?]
All: | 25 |
Single: | 23 |
Double: | 2 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 305.412 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.63 |
LogP (Chemaxon): | 2.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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