Chemical ID: 5084435

c1cc2c(ccc3c2c(c1)C(=O)N(C3=O)CCO)N4CCCC4
Chemical ID:
5084435
Name [?]:
None
SMILES [?]:
c1cc2c(ccc3c2c(c1)C(=O)N(C3=O)CCO)N4CCCC4
InChi [?]:
InChI=1/C18H18N2O3/c21-11-10-20-17(22)13-5-3-4-12-15(19-8-1-2-9-19)7-6-14(16(12)13)18(20)23/h3-7,21H,1-2,8-11H2
InChi Info:
AuxInfo=1/0/N:21,22,1,2,10,6,5,20,23,16,17,3,9,7,4,8,11,14,19,13,18,12,15/E:(1,2)(8,9)/rA:23nCCCCCCCCCCCONCOCCONCCCC/rB:s1;d2;s3;d4;s5;d6;s3s7;d8;d1s9;s9;d11;s11;s7s13;d14;s13;s16;s17;s4;s19;s20;s21;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18N2O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.20277
Area:474.319
Solvation:-3.65521
Coulombic:-49.5369
Bond Count [?]
All:26
Single:19
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:310.347
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.41
LogP (Chemaxon):1.78

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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