Chemical ID: 7653887

C=Cc1cncc2c1CC3c4c(c5ccccc5[nH]4)CCN3C2=O
Chemical ID:
7653887
Name [?]:
None
SMILES [?]:
C=Cc1cncc2c1CC3c4c(c5ccccc5[nH]4)CCN3C2=O
InChi [?]:
InChI=1/C20H17N3O/c1-2-12-10-21-11-16-15(12)9-18-19-14(7-8-23(18)20(16)24)13-5-3-4-6-17(13)22-19/h2-6,10-11,18,22H,1,7-9H2
InChi Info:
AuxInfo=1/0/N:1,2,15,16,14,17,20,21,9,4,6,3,13,12,8,7,18,10,11,23,5,19,22,24/rA:24cCCCCNCCCCCCCCCCCCCNCCNCO/rB:d1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s12;s13;d14;s15;d16;d13s17;s11s18;s12;s20;s10s21;s7s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17N3O
All Atoms:41
Heavy Atoms:24
Chiral Atoms:None
ZAP Information [?]
Total:9.77696
Area:491.345
Solvation:-2.50667
Coulombic:-34.7067
Bond Count [?]
All:28
Single:19
Double:9
Rotors:1
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.63
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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