Chemical ID: 4556273

Cc1ccc2n1ccn3c2c(c(c3C(=O)C)C)C
Chemical ID:
4556273
Name [?]:
None
SMILES [?]:
Cc1ccc2n1ccn3c2c(c(c3C(=O)C)C)C
InChi [?]:
InChI=1/C15H16N2O/c1-9-5-6-13-15-11(3)10(2)14(12(4)18)17(15)8-7-16(9)13/h5-8H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,17,18,16,3,4,7,8,2,12,11,14,5,13,10,6,9,15/rA:18nCCCCCNCCNCCCCCOCCC/rB:s1;d2;s3;d4;s2s5;s6;d7;s8;s5s9;d10;s11;s9d12;s13;d14;s14;s12;s11;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H16N2O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.71984
Area:417.264
Solvation:-2.71175
Coulombic:-17.6166
Bond Count [?]
All:20
Single:14
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:240.3
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.63
LogP (Chemaxon):2.42

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Descriptor Annotations

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