Chemical ID: 4212132

c1ccc2c(c1)C3Cc4cccnc4C2(C3)O
Chemical ID:
4212132
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C3Cc4cccnc4C2(C3)O
InChi [?]:
InChI=1/C15H13NO/c17-15-9-11(12-5-1-2-6-13(12)15)8-10-4-3-7-16-14(10)15/h1-7,11,17H,8-9H2
InChi Info:
AuxInfo=1/0/N:1,2,11,10,6,3,12,8,16,9,7,5,4,14,15,13,17/rA:17cCCCCCCCCCCCCNCCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s11;d12;d9s13;s4s14;s7s15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13NO
All Atoms:17
Heavy Atoms:17
Chiral Atoms:2
ZAP Information [?]
Total:6.98938
Area:372.187
Solvation:-2.31529
Coulombic:-24.1623
Bond Count [?]
All:20
Single:14
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:223.27
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:1.63
LogP (Chemaxon):2.48

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Descriptor Annotations

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