Chemical ID: 3967758

c1cc(c2c3c1CC4C5(C3(CCN4CC6CC6)C(O2)C(=O)CC5)O)O
Chemical ID:
3967758
Name [?]:
None
SMILES [?]:
c1cc(c2c3c1CC4C5(C3(CCN4CC6CC6)C(O2)C(=O)CC5)O)O
InChi [?]:
InChI=1/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2
InChi Info:
AuxInfo=1/0/N:16,17,1,2,22,23,11,12,7,14,15,6,3,20,8,5,4,18,10,9,13,25,21,24,19/E:(1,2)/rA:25cCCCCCCCCCCCCNCCCCCOCOCCOO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s5s9;s10;s11;s8s12;s13;s14;s15;s15s16;s10;s4s18;s18;d20;s20;s9s22;s9;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23NO4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:5
ZAP Information [?]
Total:21.7122
Area:0.0
Solvation:21.7122
Coulombic:0.0
Bond Count [?]
All:30
Single:26
Double:4
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:341.401
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:0.7
LogP (Chemaxon):1.89

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Descriptor Annotations

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