Chemical ID: 4926758

CCN1CCN=c2c3cc(ccc3n4cnc5c4c2c1cc5)OC
Chemical ID:
4926758
Name [?]:
None
SMILES [?]:
CCN1CCN=c2c3cc(ccc3n4cnc5c4c2c1cc5)OC
InChi [?]:
InChI=1/C19H18N4O/c1-3-22-9-8-20-18-13-10-12(24-2)4-6-15(13)23-11-21-14-5-7-16(22)17(18)19(14)23/h4-7,10-11H,3,8-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,2,11,22,12,21,5,4,9,15,10,8,17,13,20,19,7,18,6,16,3,14,23/rA:24cCCNCCNCCCCCCCNCNCCCCCCOC/rB:s1;s2;s3;s4;s5;d6;s7;s8;d9;s10;d11;d8s12;s13;s14;d15;s16;s14s17;s7d18;s3s19;d20;d17s21;s10;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N4O
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:7.90312
Area:465.112
Solvation:-3.72467
Coulombic:-29.968
Bond Count [?]
All:28
Single:20
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:318.373
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.26
LogP (Chemaxon):3.17

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue