Chemical ID: 4757060

c1ccc2c(c1)-c3cccn3C(N2)c4ccc5c(c4)CCO5
Chemical ID:
4757060
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)-c3cccn3C(N2)c4ccc5c(c4)CCO5
InChi [?]:
InChI=1/C19H16N2O/c1-2-5-16-15(4-1)17-6-3-10-21(17)19(20-16)14-7-8-18-13(12-14)9-11-22-18/h1-8,10,12,19-20H,9,11H2
InChi Info:
AuxInfo=1/0/N:1,2,9,6,3,8,15,16,20,10,21,19,18,14,5,4,7,17,12,13,11,22/rA:22cCCCCCCCCCCNCNCCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s11;s4s12;s12;s14;d15;s16;d17;d14s18;s18;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16N2O
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:8.75755
Area:465.811
Solvation:-2.88773
Coulombic:-26.6143
Bond Count [?]
All:26
Single:18
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:288.343
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.22
LogP (Chemaxon):3.99

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Experimental Annotations

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Descriptor Annotations

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