Chemical ID: 7663004

c1ccc(c(c1)CNc2ccc3c(c2)cn[nH]3)O
Chemical ID:
7663004
Name [?]:
None
SMILES [?]:
c1ccc(c(c1)CNc2ccc3c(c2)cn[nH]3)O
InChi [?]:
InChI=1/C14H13N3O/c18-14-4-2-1-3-10(14)8-15-12-5-6-13-11(7-12)9-16-17-13/h1-7,9,15,18H,8H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,10,11,14,7,15,5,13,9,12,4,8,16,17,18/rA:18nCCCCCCCNCCCCCCCNNO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s11;d12;d9s13;s13;d15;s12s16;s4;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13N3O
All Atoms:31
Heavy Atoms:18
Chiral Atoms:None
ZAP Information [?]
Total:7.64693
Area:426.868
Solvation:-3.02477
Coulombic:-37.7657
Bond Count [?]
All:20
Single:13
Double:7
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.1
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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