Chemical ID: 6045790

Cc1ccc2c(c1)C(=O)C3(CCN(C3=N2)c4ccccc4)O
Chemical ID:
6045790
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)C(=O)C3(CCN(C3=N2)c4ccccc4)O
InChi [?]:
InChI=1/C18H16N2O2/c1-12-7-8-15-14(11-12)16(21)18(22)9-10-20(17(18)19-15)13-5-3-2-4-6-13/h2-8,11,22H,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,19,18,20,17,21,3,4,11,12,7,2,16,6,5,8,14,10,15,13,9,22/E:(3,4)(5,6)/rA:22cCCCCCCCCOCCCNCNCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;s12;s10s13;s5d14;s13;s16;d17;s18;d19;d16s20;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16N2O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:8.87036
Area:468.181
Solvation:-2.83417
Coulombic:-40.1168
Bond Count [?]
All:25
Single:17
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:292.332
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.11
LogP (Chemaxon):3.7

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Descriptor Annotations

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