Chemical ID: 4685788

c1ccc(cc1)N2CCN3C2c4ccccc4C3=O
Chemical ID:
4685788
Name [?]:
None
SMILES [?]:
c1ccc(cc1)N2CCN3C2c4ccccc4C3=O
InChi [?]:
InChI=1/C16H14N2O/c19-16-14-9-5-4-8-13(14)15-17(10-11-18(15)16)12-6-2-1-3-7-12/h1-9,15H,10-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,14,15,3,5,13,16,8,9,4,12,17,11,18,7,10,19/E:(2,3)(6,7)/rA:19cCCCCCCNCCNCCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s7s10;s11;s12;d13;s14;d15;d12s16;s10s17;d18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14N2O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:2
ZAP Information [?]
Total:7.57576
Area:388.904
Solvation:-2.14684
Coulombic:-26.1689
Bond Count [?]
All:22
Single:15
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:250.295
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.31
LogP (Chemaxon):3.21

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Descriptor Annotations

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