Chemical ID: 7244605

C1CCC(CC1)(C(=O)O)NC(=O)C23CC4CC(C2)CC(C4)C3
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

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Descriptor Annotations

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