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Chemical ID: 7528122
Chemical ID:
7528122
Name [?]:
2-(1-adamantylcarbamoylamino)-2-phenyl-acetic acid
SMILES [?]:
c1ccc(cc1)C(C(=O)O)NC(=O)NC23CC4CC(C2)CC(C4)C3
InChi [?]:
InChI=1/C19H24N2O3/c22-17(23)16(15-4-2-1-3-5-15)20-18(24)21-19-9-12-6-13(10-19)8-14(7-12)11-19/h1-5,12-14,16H,6-11H2,(H,22,23)(H2,20,21,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,18,21,23,20,16,24,19,17,22,4,7,8,12,15,11,14,9,10,13/E:(2,3)(4,5)(6,7,8)(9,10,11)(12,13,14)(22,23)/rA:24cCCCCCCCCOONCONCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s7;s11;d12;s12;s14;s15;s16;s17;s18;s15s19;s19;s21;s17s22;s15s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24N2O3 |
All Atoms: | 48 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.0372 |
Area: | 507.821 |
Solvation: | -2.65838 |
Coulombic: | -64.1946 |
Bond Count [?]
All: | 27 |
Single: | 22 |
Double: | 5 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.19 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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