Chemical ID: 6048184

c1ccc2c(c1)-c3ccccc3C2COC(=O)NC4(CCCCCCCCC4)C(=O)O
Chemical ID:
6048184
Name [?]:
1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclodecane-1-carboxylic acid
SMILES [?]:
c1ccc2c(c1)-c3ccccc3C2COC(=O)NC4(CCCCCCCCC4)C(=O)O
InChi [?]:
InChI=1/C26H31NO4/c28-24(29)26(16-10-4-2-1-3-5-11-17-26)27-25(30)31-18-23-21-14-8-6-12-19(21)20-13-7-9-15-22(20)23/h6-9,12-15,23H,1-5,10-11,16-18H2,(H,27,30)(H,28,29)
InChi Info:
AuxInfo=1/1/N:24,23,25,22,26,1,9,2,10,21,27,6,8,3,11,20,28,14,5,7,4,12,13,29,16,19,18,30,31,17,15/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(19,20)(21,22)(28,29)/rA:31nCCCCCCCCCCCCCCOCONCCCCCCCCCCCOO/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;s26;s19s27;s19;d29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H31NO4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:12.7269
Area:620.689
Solvation:-2.79027
Coulombic:-65.1333
Bond Count [?]
All:34
Single:26
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:421.529
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:6.4
LogP (Chemaxon):5.82

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Descriptor Annotations

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