Chemical ID: 7598305

CC(C)(C)NCC(COc1cccc2c1CC3(C2=O)CCCCC3)O
Chemical ID:
7598305
Name [?]:
None
SMILES [?]:
CC(C)(C)NCC(COc1cccc2c1CC3(C2=O)CCCCC3)O
InChi [?]:
InChI=1/C21H31NO3/c1-20(2,3)22-13-15(23)14-25-18-9-7-8-16-17(18)12-21(19(16)24)10-5-4-6-11-21/h7-9,15,22-23H,4-6,10-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,22,21,23,12,13,11,20,24,16,6,8,7,14,15,10,18,2,17,5,25,19,9/E:(1,2,3)(5,6)(10,11)/rA:25cCCCCNCCCOCCCCCCCCCOCCCCCO/rB:s1;s2;s2;s2;s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;s14s17;d18;s17;s20;s21;s22;s17s23;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H31NO3
All Atoms:56
Heavy Atoms:25
Chiral Atoms:None
ZAP Information [?]
Total:9.26479
Area:570.812
Solvation:-5.00551
Coulombic:-41.4135
Bond Count [?]
All:27
Single:23
Double:4
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.56
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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