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Chemical ID: 7086860
Chemical ID:
7086860
Name [?]:
4-cyclohexyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
SMILES [?]:
c1ccc2c(c1)-c3ccccc3C2COC(=O)NC(CCC4CCCCC4)C(=O)O
InChi [?]:
InChI=1/C25H29NO4/c27-24(28)23(15-14-17-8-2-1-3-9-17)26-25(29)30-16-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h4-7,10-13,17,22-23H,1-3,8-9,14-16H2,(H,26,29)(H,27,28)
InChi Info:
AuxInfo=1/1/N:25,24,26,1,9,2,10,23,27,6,8,3,11,21,20,14,22,5,7,4,12,13,19,28,16,18,29,30,17,15/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(18,19)(20,21)(27,28)/rA:30cCCCCCCCCCCCCCCOCONCCCCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s4s12;s13;s14;s15;d16;s16;s18;s19;s20;s21;s22;s23;s24;s25;s22s26;s19;d28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H29NO4 |
All Atoms: | 59 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.4143 |
Area: | 658.192 |
Solvation: | -3.04046 |
Coulombic: | -64.4984 |
Bond Count [?]
All: | 33 |
Single: | 25 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 407.502 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 6.44 |
LogP (Chemaxon): | 5.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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