Chemical ID: 6687244

CCCCC(C(=O)O)NC(=O)OCC1c2ccccc2-c3c1cccc3
Chemical ID:
6687244
Name [?]:
2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
SMILES [?]:
CCCCC(C(=O)O)NC(=O)OCC1c2ccccc2-c3c1cccc3
InChi [?]:
InChI=1/C21H23NO4/c1-2-3-12-19(20(23)24)22-21(25)26-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,2-3,12-13H2,1H3,(H,22,25)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,3,18,25,17,24,19,26,16,23,4,13,20,21,15,22,14,5,6,10,9,7,8,11,12/E:(4,5)(6,7)(8,9)(10,11)(14,15)(16,17)(23,24)/rA:26cCCCCCCOONCOOCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s5;s9;d10;s10;s12;s13;s14;s15;d16;s17;d18;d15s19;s20;s14s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H23NO4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:11.822
Area:593.674
Solvation:-3.01986
Coulombic:-63.8027
Bond Count [?]
All:28
Single:20
Double:8
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:353.412
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.56
LogP (Chemaxon):4.47

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Descriptor Annotations

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