Chemical ID: 6424273

CCC12CCCN3C1c4c(c5ccccc5n4C(=C2)C(=O)O)CC3
Chemical ID:
6424273
Name [?]:
None
SMILES [?]:
CCC12CCCN3C1c4c(c5ccccc5n4C(=C2)C(=O)O)CC3
InChi [?]:
InChI=1/C20H22N2O2/c1-2-20-9-5-10-21-11-8-14-13-6-3-4-7-15(13)22(17(14)18(20)21)16(12-20)19(23)24/h3-4,6-7,12,18H,2,5,8-11H2,1H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,13,14,5,12,15,23,4,6,24,19,11,10,16,18,9,8,20,3,7,17,21,22/E:(23,24)/rA:24cCCCCCCNCCCCCCCCCNCCCOOCC/rB:s1;s2;s3;s4;s5;s6;s3s7;s8;d9;s10;s11;d12;s13;d14;d11s15;s9s16;s17;s3d18;s18;d20;s20;s10;s7s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H22N2O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:3
ZAP Information [?]
Total:9.61157
Area:472.056
Solvation:-2.18982
Coulombic:-41.016
Bond Count [?]
All:28
Single:22
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:322.401
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.27
LogP (Chemaxon):1.03

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Descriptor Annotations

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