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Chemical ID: 6718986
Chemical ID:
6718986
Name [?]:
2-[(2-anilinophenyl)carbamoyl]cyclohexane-1-carboxylate
SMILES [?]:
c1ccc(cc1)Nc2ccccc2NC(=O)C3CCCCC3C(=O)[O-]
InChi [?]:
InChI=1/C20H22N2O3/c23-19(15-10-4-5-11-16(15)20(24)25)22-18-13-7-6-12-17(18)21-14-8-2-1-3-9-14/h1-3,6-9,12-13,15-16,21H,4-5,10-11H2,(H,22,23)(H,24,25)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,19,20,10,11,3,5,18,21,9,12,4,17,22,8,13,15,23,7,14,16,24,25/E:(2,3)(8,9)(24,25)/rA:25cCCCCCCNCCCCCCNCOCCCCCCCOO-/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s13;s14;d15;s15;s17;s18;s19;s20;s17s21;s22;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H21N2O3- |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | -31.9854 |
Area: | 527.839 |
Solvation: | -45.1814 |
Coulombic: | -30.0251 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 337.392 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.76 |
LogP (Chemaxon): | 3.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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