Chemical ID: 7086820

c1ccc2c(c1)-c3ccccc3C2COC(=O)NC4(CCOCC4)C(=O)O
Chemical ID:
7086820
Name [?]:
4-(9H-fluoren-9-ylmethoxycarbonylamino)tetrahydropyran-4-carboxylic acid
SMILES [?]:
c1ccc2c(c1)-c3ccccc3C2COC(=O)NC4(CCOCC4)C(=O)O
InChi [?]:
InChI=1/C21H21NO5/c23-19(24)21(9-11-26-12-10-21)22-20(25)27-13-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,18H,9-13H2,(H,22,25)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,9,2,10,6,8,3,11,20,24,21,23,14,5,7,4,12,13,25,16,19,18,26,27,17,22,15/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)(16,17)(23,24)/rA:27nCCCCCCCCCCCCCCOCONCCCOCCCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s4s12;s13;s14;s15;d16;s16;s18;s19;s20;s21;s22;s19s23;s19;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H21NO5
All Atoms:48
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.71338
Area:560.684
Solvation:-4.30372
Coulombic:-70.2586
Bond Count [?]
All:30
Single:22
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:367.395
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.64
LogP (Chemaxon):2.48

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Descriptor Annotations

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