Chemical ID: 4570500

c1cc2n(c(=O)c1)CC3CC2CN(C3)C(=O)CCN
Chemical ID:
4570500
Name [?]:
None
SMILES [?]:
c1cc2n(c(=O)c1)CC3CC2CN(C3)C(=O)CCN
InChi [?]:
InChI=1/C14H19N3O2/c15-5-4-13(18)16-7-10-6-11(9-16)12-2-1-3-14(19)17(12)8-10/h1-3,10-11H,4-9,15H2
InChi Info:
AuxInfo=1/0/N:1,2,7,17,18,10,14,8,12,9,11,3,15,5,19,13,4,16,6/rA:19cCCCNCOCCCCCCNCCOCCN/rB:s1;d2;s3;s4;d5;d1s5;s4;s8;s9;s3s10;s11;s12;s9s13;s13;d15;s15;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19N3O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:2
ZAP Information [?]
Total:6.87881
Area:413.632
Solvation:-3.46198
Coulombic:-42.3198
Bond Count [?]
All:21
Single:17
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:261.32
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:-1.17
LogP (Chemaxon):-0.95

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Descriptor Annotations

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