Chemical ID: 6918611

CCC12CCCN3C1c4c(c5ccccc5n4C(=C2)C(=O)OC)CC3
Chemical ID:
6918611
Name [?]:
None
SMILES [?]:
CCC12CCCN3C1c4c(c5ccccc5n4C(=C2)C(=O)OC)CC3
InChi [?]:
InChI=1/C21H24N2O2/c1-3-21-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(18(15)19(21)22)17(13-21)20(24)25-2/h4-5,7-8,13,19H,3,6,9-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,2,13,14,5,12,15,24,4,6,25,19,11,10,16,18,9,8,20,3,7,17,21,22/rA:25cCCCCCCNCCCCCCCCCNCCCOOCCC/rB:s1;s2;s3;s4;s5;s6;s3s7;s8;d9;s10;s11;d12;s13;d14;d11s15;s9s16;s17;s3d18;s18;d20;s20;s22;s10;s7s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H24N2O2
All Atoms:49
Heavy Atoms:25
Chiral Atoms:3
ZAP Information [?]
Total:10.104
Area:496.18
Solvation:-2.30051
Coulombic:-33.305
Bond Count [?]
All:29
Single:23
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:336.428
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.59
LogP (Chemaxon):3.67

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