Chemical ID: 5241689

c1ccc2c(c1)c3c([nH]2)C4CCCC(=O)N4CC3
Chemical ID:
5241689
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c([nH]2)C4CCCC(=O)N4CC3
InChi [?]:
InChI=1/C15H16N2O/c18-14-7-3-6-13-15-11(8-9-17(13)14)10-4-1-2-5-12(10)16-15/h1-2,4-5,13,16H,3,6-9H2
InChi Info:
AuxInfo=1/0/N:1,2,12,6,3,11,13,18,17,5,7,4,10,14,8,9,16,15/rA:18cCCCCCCCCNCCCCCONCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;s12;s13;d14;s10s14;s16;s7s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H16N2O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:7.82861
Area:397.078
Solvation:-2.09835
Coulombic:-27.2713
Bond Count [?]
All:21
Single:16
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:240.3
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.93
LogP (Chemaxon):1.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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